SCHEMBL3132841

SCHEMBL3132841

Nc1cccc(Cc2cccc(N)c2N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.46
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 2/20 0.40
CASP7 P55210 2/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 1/20 0.39
HSPA5 P11021 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KEAP1 Q14145 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
POLB P06746 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2356316 0.93 CYP3A4 (0.41) CD44CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL27696423 0.85 HSPA5 (0.64) TSHRHSD17B10ALOX15HSPA5KEAP1
SCHEMBL23496022 0.84 CYP3A4 (0.43) CD44CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL102570 0.84 HTR2A (0.50) CD44CYP3A4HPGDALOX15CASP7
SCHEMBL3482721 0.83 CD44 (0.46) CD44CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL10610547 0.82 CYP3A4 (0.52) CD44CYP3A4ALDH1A1TSHRTDP1
SCHEMBL1352808 0.81 PNMT (0.46) CD44CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL23144898 0.80 IDO1 (0.49) ALDH1A1TDP1L3MBTL1POLB
SCHEMBL750157 0.80 HSP90AA1 (0.41) CD44CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL10510260 0.80 MPO (0.42) CD44ALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706442-B1 PROTON-CONDUCTING MEMBRANE AND USE THEREOF BASF FUEL CELL GMBH (DE) 2010-05-26 EP claimed
US-4559139-A CROSSLINKED WATER SOLUBLE POLYMER ON MICROPOROUS SUBSTRATE TORAY INDUSTRIES, INC. (JP) 1985-12-17 US claimed
EP-0072002-B1 HIGH PERFORMANCE SEMIPERMEABLE COMPOSITE MEMBRANE AND PROCESS FOR PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 1985-04-10 EP claimed
EP-0047069-B1 RESIN DERIVED FROM ACENAPHTHENE AND PROCESS FOR ITS PRODUCTION Coal Industry (Patents) Limited (GB) 1984-07-11 EP claimed
EP-0072002-A1 High performance semipermeable composite membrane and process for producing same TORAY INDUSTRIES, INC. (JP) 1983-02-16 EP claimed
EP-0047069-A1 Resin derived from acenaphthene and process for its production Coal Industry (Patents) Limited (GB) 1982-03-10 EP claimed
US-10875964-B2 Polymeric binder of polyacrylic acid, polyfunctional amine, and linking benzene ring KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2020-12-29 US disclosed
WO-2020189712-A1 FILM FORMING MATERIAL FOR LITHOGRAPHY, COMPOSITION FOR FORMING FILM FOR LITHOGRAPHY, UNDERLAYER FILM FOR LITHOGRAPHY, PATTERN FORMING METHOD, AND PURIFICATION METHOD 三菱瓦斯化学株式会社 2020-09-24 WO disclosed
US-20190119448-A1 POLYMERIC COMPOUND, INTERMEDIATE COMPOSITION, NEGATIVE ELECTRODE, ELECTRICAL STORAGE DEVICE, AND METHOD FOR PRODUCING POLYMERIC COMPOUND KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2019-04-25 US disclosed
EP-1866379-A2 ADSORBENTS COMPRISING ANTHRAQUINONE DYE-LIGANDS FOR THE SEPARATION OF BIOLOGICAL MATERIALS Ciba Specialty Chemicals Holding Inc. (CH) 2007-12-19 EP disclosed
EP-1790026-A2 MEMBRANE-ELECTRODE UNIT AND FUEL ELEMENTS WITH INCREASED SERVICE LIFE Pemeas GmbH (DE) 2007-05-30 EP disclosed
WO-2006108760-A2 ADSORBENTS COMPRISING ANTHRAQUINONE DYE-LIGANDS FOR THE SEPARATION OF BIOLOGICAL MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-10-19 WO disclosed
WO-2006015806-A2 MEMBRANE-ELECTRODE UNIT AND FUEL ELEMENTS WITH INCREASED SERVICE LIFE PEMEAS GMBH (DE) 2006-02-16 WO disclosed
EP-0072002-A1 High performance semipermeable composite membrane and process for producing same TORAY INDUSTRIES, INC. (JP) 1983-02-16 EP disclosed
EP-0057728-A1 MOISTURE-SENSITIVE ELEMENT, MOISTURE-SENSITIVE MATERIAL AND MANUFACTURING METHOD FOR SAME Hitachi, Ltd. (JP) 1982-08-18 EP disclosed
US-4334055-A Resin derived from acenaphthene, process for its production and intermediates in its production COAL INDUSTRY (PATENTS) LIMITED (GB) 1982-06-08 US disclosed
EP-0047069-A1 Resin derived from acenaphthene and process for its production Coal Industry (Patents) Limited (GB) 1982-03-10 EP disclosed
EP-0046917-A1 Polyisocyanate mixtures of the diphenylmethane class, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process BAYER AG (DE) 1982-03-10 EP disclosed
US-4131707-A POLYMALEIMIDES CIBA-GEIGY CORPORATION (US) 1978-12-26 US disclosed
US-4035345-A Thermosetting bis-imide compositions RHONE-POULENC S.A. (FR) 1977-07-12 US disclosed