SCHEMBL8029898

SCHEMBL8029898

Cn1c(Cc2ccc(C#N)cc2)cc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 12/20 0.61
BRD1 O95696 9/20 0.60
BRPF3 Q9ULD4 6/20 0.60
BRD4 O60885 4/20 0.60
BRD9 Q9H8M2 4/20 0.60
BRD7 Q9NPI1 2/20 0.60
SMARCA2 P51531 1/20 0.56
TRIM24 O15164 2/20 0.48
F2 P00734 1/20 0.48
IMPDH2 P12268 1/20 0.47
AR P10275 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL8016504 0.82 BRPF1 (0.52) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL8027058 0.82 F2 (0.70) BRPF1BRD1BRPF3BRD4BRD9
Hydrochloric Acid SCHEMBL8026996 0.81 F2 (0.69) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL8026334 0.81 F2 (0.55) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL8029978 0.80 F2 (0.60) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL7981348 0.80 BRPF1 (0.56) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL6637025 0.77 PAX8 (0.64) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL8026550 0.77 F2 (0.73) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL8017541 0.77 F2 (0.72) BRPF1BRD1BRPF3BRD4BRD9
SCHEMBL8030047 0.76 KMT2A (0.46) KMT2A

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