SCHEMBL7915319

SCHEMBL7915319

O=C1C=CC(=O)C(c2c([N+](=O)[O-])ccc3c2ccc2cccc([N+](=O)[O-])c23)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TYMS P04818 1/20 0.38
S100A4 P26447 2/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTPRC P08575 1/20 0.35
HPRT1 P00492 1/20 0.34
RECQL P46063 1/20 0.34
MCL1 Q07820 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL2700202 0.85 HPRT1 (0.51) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL6300495 0.82 TYMS (0.40) ALDH1A1TYMSS100A4CA1CA2
SCHEMBL6294397 0.78 TDP1 (0.38) ALDH1A1S100A4KMT2AMAPTMEN1
SCHEMBL7912797 0.71 CCR6 (0.36) ALDH1A1TYMSKMT2AMAPTMEN1
SCHEMBL7245952 0.70 TDP1 (0.41) ALDH1A1S100A4CA1CA2CA7
SCHEMBL9239563 0.70 TDP1 (0.56) ALDH1A1S100A4CA1CA2CA7
SCHEMBL4535842 0.68 ALDH1A1 (0.71) ALDH1A1TYMSKMT2AMAPTMEN1
SCHEMBL15822880 0.68 ALDH1A1 (0.51) ALDH1A1TYMSKMT2AMAPTMEN1
SCHEMBL7915282 0.68 TSHR (0.38) ALDH1A1S100A4KMT2AMEN1HPRT1
SCHEMBL9353890 0.68 TSHR (0.38) ALDH1A1S100A4KMT2AMEN1HPRT1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4076537-A Light-sensitive materials containing organo tellurium or selenium compounds and sensitizers FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US claimed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4076537-A Light-sensitive materials containing organo tellurium or selenium compounds and sensitizers FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US disclosed