SCHEMBL8029893

SCHEMBL8029893

Cn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)CC3CCCC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.46
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACSL1 P33121 1/20 0.41
PAX8 Q06710 4/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8027045 0.99 F2 (0.45) F2CNR2SMN1; SMN2ACSL1PAX8
SCHEMBL6635980 0.89 SMN1; SMN2 (0.42) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL6635646 0.87 PPARG (0.43) F2CNR2SMN1; SMN2PAX8POLB
SCHEMBL8026562 0.84 F2 (0.67) F2
SCHEMBL8027395 0.83 F2 (0.52) F2SMN1; SMN2PAX8POLBLMNA
Hydrochloric Acid SCHEMBL8028460 0.83 F2 (0.66) F2
SCHEMBL8026422 0.83 F2 (0.55) F2SMN1; SMN2ACSL1PAX8POLB
Hydrochloric Acid SCHEMBL8027015 0.82 F2 (0.65) F2
SCHEMBL8032933 0.81 F2 (0.53) F2SMN1; SMN2ACSL1PAX8POLB
SCHEMBL8027058 0.79 F2 (0.70) F2SMN1; SMN2PAX8POLBLMNA

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