SCHEMBL8016504

SCHEMBL8016504

CCCS(=O)(=O)Nc1ccc2c(c1)cc(Cc1ccc(C#N)cc1)n2C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 15/20 0.52
BRD1 O95696 10/20 0.48
BRPF3 Q9ULD4 7/20 0.48
BRD9 Q9H8M2 4/20 0.48
BRD4 O60885 4/20 0.48
BRD7 Q9NPI1 2/20 0.48
PGR P06401 1/20 0.45
SMARCA2 P51531 1/20 0.45
TRIM24 O15164 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RORC P51449 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL8029898 0.82 BRPF1 (0.61) BRPF1BRD1BRPF3BRD9BRD4
Hydrochloric Acid SCHEMBL8026367 0.81 F2 (0.49) BRPF1HDAC1HDAC8HDAC6
SCHEMBL8026334 0.76 F2 (0.55) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL8016775 0.74 BRPF1 (0.41) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL8030047 0.72 KMT2A (0.46)
SCHEMBL8032940 0.71 KCNJ1 (0.48) BRPF1RORC
SCHEMBL8032933 0.71 F2 (0.53) BRD4
SCHEMBL8026422 0.69 F2 (0.55) BRPF1BRD1BRPF3BRD9BRD4
SCHEMBL8031758 0.68 BRPF1 (0.40) BRPF1BRD1RORC
SCHEMBL8027395 0.68 F2 (0.52) BRPF1BRD1BRPF3BRD9BRD4

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
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed