SCHEMBL7718121

SCHEMBL7718121

Cc1ccc(Sc2n[c]nc(F)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MLYCD O95822 2/20 0.35
HAO1 Q9UJM8 1/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 2/20 0.35
DHFR P00374 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 3/20 0.34
EGFR P00533 1/20 0.33
TYMS P04818 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 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
SCHEMBL10625950 0.81 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MLYCDHAO1
SCHEMBL5909615 0.81 NPC1 (0.35) NPC1RAB9ASMN1; SMN2HAO1HPGD
SCHEMBL8039900 0.75 LMNA (0.40) NPC1RAB9ASMN1; SMN2MLYCDHAO1
SCHEMBL13752159 0.74 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MLYCDHAO1
SCHEMBL11426769 0.70
SCHEMBL27413739 0.68 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL12245875 0.66 ACHE (0.57) NPC1RAB9ASMN1; SMN2MLYCDHAO1
SCHEMBL11121834 0.66 ACHE (0.57) NPC1RAB9ASMN1; SMN2MLYCDHAO1
SCHEMBL83853 0.66 ACHE (0.57) NPC1RAB9ASMN1; SMN2MLYCDHAO1
SCHEMBL9627573 0.66 MAPT (0.43) NPC1RAB9ASMN1; SMN2HAO1HPGD

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 47 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-6136970-A COLORFAST FIBER-REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-24 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
EP-0962501-A2 Mixtures of reactive dyes and their use for dyeing material containing hydroxy and/or carbonamide groups DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1999-12-08 EP 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
EP-0286021-B1 REACTIVE AZO DYES BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
EP-0272532-B1 DYESTUFFS BAYER AG (DE) 1991-05-29 EP disclosed
EP-0355586-A2 Anthraquinone dye compounds having fibers reactive group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-28 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
US-4874857-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed
US-4806640-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
US-4777247-A Heavy metal-containing monoazo dyes BAYER AKTIENGESELLSCHAFT (DE) 1988-10-11 US disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
US-4418015-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1983-11-29 US disclosed