SCHEMBL7428683

SCHEMBL7428683

Cc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2c(=O)n1Cc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 5/20 0.52
SMARCA2 P51531 1/20 0.49
BRD1 O95696 3/20 0.46
BRD4 O60885 2/20 0.46
BRD9 Q9H8M2 2/20 0.46
BRPF3 Q9ULD4 2/20 0.46
BRD7 Q9NPI1 1/20 0.46
ATIC P31939 1/20 0.46
AR P10275 1/20 0.45
APP P05067 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CDC25A P30304 2/20 0.45
CDC25B P30305 2/20 0.45
IMPDH2 P12268 1/20 0.44
MAPK8 P45983 1/20 0.44
NPC1 O15118 1/20 0.43

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
Hydrochloric Acid SCHEMBL7984525 0.83 F2 (0.58) APPHDAC1HDAC2HDAC11HDAC8
SCHEMBL7981601 0.78 BRPF1 (0.51) BRPF1SMARCA2BRD1BRD4BRD9
SCHEMBL7479090 0.77 BRPF1 (0.52) BRPF1SMARCA2BRD1BRD4BRD9
SCHEMBL7429478 0.77 KDM4E (0.61) APPHDAC1HDAC2HDAC11HDAC8
SCHEMBL8028568 0.77 F2 (0.61) BRPF1SMARCA2ARCDC25ACDC25B
Hydrochloric Acid SCHEMBL7981561 0.76 F2 (0.57) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL7977900 0.74 ATIC (0.66) BRPF1SMARCA2BRD1BRD4ATIC
SCHEMBL7981348 0.74 BRPF1 (0.56) BRPF1SMARCA2BRD1BRD4BRD9
SCHEMBL8026550 0.74 F2 (0.73) BRPF1SMARCA2BRD1BRD4BRD9
SCHEMBL7425922 0.73 MEN1 (0.67) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed