SCHEMBL8029668

SCHEMBL8029668

Cn1c(Cc2ccc(C#N)cc2)nc2cc(-c3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
USP30 Q70CQ3 1/20 0.45
ACSL1 P33121 2/20 0.45
F2 P00734 2/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
ALOX5AP P20292 3/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
RORC P51449 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL7427026 0.84 F2 (0.43) PIK3CDUSP30F2BRD4HDAC8
SCHEMBL8028137 0.81 CNR2 (0.48) ACSL1F2RORC
SCHEMBL8028421 0.81 F2 (0.49) ACSL1F2RORC
SCHEMBL8033106 0.81 LMNA (0.41) PIK3CDACSL1F2
Hydrochloric Acid SCHEMBL8026549 0.78 F2 (0.63) F2
SCHEMBL8026422 0.78 F2 (0.55) ACSL1F2BRD4
SCHEMBL8027058 0.78 F2 (0.70) F2BRD4
SCHEMBL8016259 0.78 F2 (0.58) F2BRD4
Naphthalene SCHEMBL8027008 0.77 ACSL1 (0.41) ACSL1F2RORC
SCHEMBL8015782 0.77 RORC (0.58) RORC

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