SCHEMBL7718722

SCHEMBL7718722

CN(c1ccccc1)c1n[c]nc(F)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.34
PDE5A O76074 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9684984 0.80 TSHR (0.46) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL7718136 0.79 MAPT (0.48) CYP1A2CYP2D6TSHRMAPK1L3MBTL1
SCHEMBL7720132 0.76 MAPT (0.43) TSHRKMT2APDE5ANPC1RAB9A
SCHEMBL7717590 0.73 KDM4E (0.37) L3MBTL1
SCHEMBL8974883 0.72 TSHR (0.53) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
Trimethylammonium SCHEMBL27601714 0.70 MEN1 (0.39) MAPK1CYP2C19L3MBTL1KMT2AMEN1
SCHEMBL3385311 0.66 HDAC1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL10099644 0.66 ALDH1A1 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL20385081 0.65 MEN1 (0.52) MAPK1L3MBTL1KMT2AMEN1PDE5A
SCHEMBL22931682 0.65 MEN1 (0.52) MAPK1L3MBTL1KMT2AMEN1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808015-A RED FIBER REACTIVE, ACID DYES FOR CELLULOSE FIBERS, COTTON, WOOL, SILK, POLYAMIDES, POLYESTERS, POLYOLEFINS AND POLYACRYLONITRILE; COLORFASTNESS; BRIGHTNESS; TRIAZINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
US-5744589-A FOR DYEING OR PRINTING SUBSTRATES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-28 US claimed
US-6376656-B1 DISAZO DYES, TRIAZINE DYES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-04-23 US disclosed
US-6046311-A Water-soluble fiber-reactive dyes, preparation thereof and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-04-04 US disclosed
US-6025478-A HIGH REACTIVITY AND FIXING CAPACITY, GOOD LOW TEMPERATURE DYEING, GOOD COLOR INTENSITY, LIGHTFASTNESS, WASHFASTNESS BAYER AG (DE) 2000-02-15 US disclosed
US-5955615-A COUPLERS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5808015-A RED FIBER REACTIVE, ACID DYES FOR CELLULOSE FIBERS, COTTON, WOOL, SILK, POLYAMIDES, POLYESTERS, POLYOLEFINS AND POLYACRYLONITRILE; COLORFASTNESS; BRIGHTNESS; TRIAZINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5760193-A FOR COTTON, WOOL, POLYAMIDES; HIGH COLOR STRENGTH, COLORFASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-06-02 US disclosed
US-5744589-A FOR DYEING OR PRINTING SUBSTRATES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
US-5625042-A DYEING OR PRINTING MATERIAL HYDROXY OR AMIDE GROUPS BY APPLYING DYES WITH DISAZO AND TRIAZINE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed
EP-0629249-B1 PROCESS FOR THE DYEING OF CELLULOSE-CONTAINING FIBRE MATERIALS WITH REACTIVE DYES CIBA GEIGY AG (CH) 1997-01-08 EP disclosed
US-5270454-A Reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1993-12-14 US disclosed
WO-1993018224-A1 PROCESS FOR THE DYEING OF CELLULOSE-CONTAINING FIBRE MATERIALS WITH REACTIVE DYES CIBA-GEIGY AG (CH) 1993-09-16 WO disclosed
US-5095102-A 6-SUBSTITUTED SULPHONYL-8-SULPHO-2-NAPHTHYL MONOAZO REACTIVE DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
US-5057609-A TRIPHENDIOXAZINE DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed
EP-0286021-B1 REACTIVE AZO DYES BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-4897469-A Aniline series azo reactive dyes ortho- or para-substituted by vinyl sulfonyl reactive groups BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 US disclosed
EP-0286021-A2 Reactive azo dyes BASF Aktiengesellschaft (DE) 1988-10-12 EP disclosed
US-4206306-A Reactive phthalocyanine dyestuffs containing a fluorotriazinyl group attached via a nitrogen bridge to the dyestuff molecule BAYER AKTIENGESELLSCHAFT (DE) 1980-06-03 US disclosed
US-4115378-A TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed