SCHEMBL8029978

SCHEMBL8029978

Cn1c(Cc2ccc(C#N)cc2)nc2ccc(NS(=O)(=O)c3ccccc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.60
SMN1; SMN2 Q16637 1/20 0.51
BRPF1 P55201 6/20 0.50
BRD1 O95696 4/20 0.50
BRPF3 Q9ULD4 3/20 0.50
BRD4 O60885 2/20 0.50
BRD9 Q9H8M2 2/20 0.50
PAX8 Q06710 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.49
BRD7 Q9NPI1 1/20 0.48
IMPDH2 P12268 1/20 0.48
SMARCA2 P51531 1/20 0.47
TRIM24 O15164 1/20 0.47

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
SCHEMBL8027058 0.92 F2 (0.70) F2SMN1; SMN2BRPF1BRD1BRPF3
SCHEMBL8033052 0.89 F2 (0.62) F2SMN1; SMN2BRPF1BRD1BRPF3
SCHEMBL8016259 0.84 F2 (0.58) F2SMN1; SMN2BRPF1BRD1BRPF3
SCHEMBL8026550 0.83 F2 (0.73) F2SMN1; SMN2BRPF1BRD1BRPF3
SCHEMBL6637025 0.83 PAX8 (0.64) F2SMN1; SMN2BRPF1BRD1BRPF3
SCHEMBL8032270 0.83 F2 (0.72) F2SMN1; SMN2BRPF1BRD1BRPF3
SCHEMBL8017541 0.83 F2 (0.72) F2SMN1; SMN2BRPF1BRD1BRPF3
SCHEMBL8028365 0.82 F2 (0.73) F2SMN1; SMN2BRPF1BRD1BRPF3
Hydrochloric Acid SCHEMBL8031998 0.82 F2 (0.84) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL8145525 0.82 F2 (0.52) F2BRPF1BRD1BRPF3BRD4

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