SCHEMBL7716388

SCHEMBL7716388

Fc1n[c]nc(NCCc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA13 Q8N1Q1 1/20 0.43
KCNH3 Q9ULD8 1/20 0.42
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
HTR7 P34969 2/20 0.41
HPGD P15428 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL7718736 0.85 LMNA (0.49) APPL3MBTL1KCNH3RAB9A
SCHEMBL9483552 0.82 CA12 (0.60) APPL3MBTL1CA12CA1CA2
SCHEMBL22151175 0.75 APP (0.64) APPL3MBTL1KCNH3BCHEACHE
SCHEMBL11136697 0.73 CYP1A2 (0.37) CA1CA2CA9KCNH3
SCHEMBL7720112 0.73 GAA (0.39) CA12CA1CA2CA3CA4
SCHEMBL4651692 0.71 AURKA (0.45) KCNH3NPC1RAB9A
SCHEMBL11425479 0.70 SLC29A1 (0.39) L3MBTL1CA1CA2CA9KCNH3
SCHEMBL17186572 0.69 APP (0.54) APPL3MBTL1KCNH3BCHEACHE
SCHEMBL10885433 0.69 HPGD (0.58) APPL3MBTL1KCNH3BCHEACHE
SCHEMBL11312208 0.69 KCNH3 (0.44) KCNH3

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 58 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
US-5931975-A TRIAZINE REACTIVE DYES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 US disclosed
US-5892006-A CONTAINING S-TRIAZINE RINGS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-04-06 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-5735911-A TRIAZINE DYES HAVING GOOD WET AND LIGHT FASTNESS PROPERTIES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-04-07 US disclosed
US-4772687-A AZO DYES, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed
US-4665179-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US disclosed
US-4659806-A WASH-AND COLORFASTNESS BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
US-4638054-A Aminonaphthol bisazo reactive dyes BAYER AKTIENGESELLSCHAFT (DE) 1987-01-20 US disclosed
US-4622396-A FIBER REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
US-4556707-A DYEING CELLULOSE FIBERS AND POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
US-4460505-A Dyestuffs, processes for their preparation and their use for dyeing materials containing hydroxyl groups or nitrogen BAYER AKTIENGESELLSCHAFT (DE) 1984-07-17 US disclosed