SCHEMBL8032010

SCHEMBL8032010

CCOC(=O)C(NC(=O)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.48
▸ BCHE P06276 3/20 0.48
▸ HDAC6 Q9UBN7 5/20 0.48
▸ HDAC1 Q13547 1/20 0.44
▸ ACSL1 P33121 1/20 0.43
▸ PPARG P37231 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ CNR1 P21554 1/20 0.42

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
Hydrochloric Acid SCHEMBL8026991 0.87 F2 (0.54) CNR2BCHEHDAC6PPARG
SCHEMBL8029861 0.85 PPARG (0.49) CNR2BCHEHDAC6HDAC1PPARG
SCHEMBL8026757 0.81 CNR2 (0.45) CNR2BCHEHDAC6HDAC1ACSL1
SCHEMBL8015782 0.80 RORC (0.58) HDAC6HDAC1PPARGRORC
SCHEMBL6162641 0.78 CTSG (0.45) CNR2BCHEHDAC6HDAC1HTT
SCHEMBL8028963 0.77 F2 (0.53) CNR2BCHEHDAC6HDAC1ACSL1
Hydrochloric Acid SCHEMBL8028881 0.77 F2 (0.58) HDAC6HDAC1PPARG
SCHEMBL8029864 0.76 ALDH1A1 (0.49) CNR2BCHEHDAC6HDAC1HSD17B10
SCHEMBL8026465 0.76 CNR2 (0.43) CNR2BCHEHDAC6HDAC1ACSL1
SCHEMBL8016092 0.75 HDAC6 (0.47) CNR2BCHEHDAC6HDAC1ACSL1

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
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