SCHEMBL8016259

SCHEMBL8016259

Cn1c(Cc2ccc(C#N)cc2)nc2cc(S(=O)(=O)Nc3ccccc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.58
BRPF1 P55201 7/20 0.53
BRD1 O95696 5/20 0.53
BRPF3 Q9ULD4 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
PAX8 Q06710 1/20 0.48
BRD4 O60885 3/20 0.48
BRD9 Q9H8M2 3/20 0.48
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
BRD7 Q9NPI1 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
AR P10275 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
SCHEMBL8027058 0.90 F2 (0.70) F2BRPF1BRD1BRPF3SMN1; SMN2
SCHEMBL8032270 0.89 F2 (0.72) F2BRPF1BRD1BRPF3SMN1; SMN2
SCHEMBL8028421 0.86 F2 (0.49) F2SMN1; SMN2POLBPAX8LMNA
SCHEMBL8029978 0.84 F2 (0.60) F2BRPF1BRD1BRPF3SMN1; SMN2
SCHEMBL8026422 0.82 F2 (0.55) F2BRPF1BRD1BRPF3SMN1; SMN2
SCHEMBL8028365 0.82 F2 (0.73) F2BRPF1BRD1BRPF3SMN1; SMN2
SCHEMBL8016793 0.82 F2 (0.59) F2BRPF1BRD1BRPF3SMN1; SMN2
Hydrochloric Acid SCHEMBL8029964 0.82 F2 (0.81) F2SMN1; SMN2PKM
SCHEMBL6637025 0.82 PAX8 (0.64) F2BRPF1BRD1BRPF3SMN1; SMN2
SCHEMBL8027395 0.81 F2 (0.52) F2BRPF1BRD1BRPF3SMN1; SMN2

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