SCHEMBL8016519

SCHEMBL8016519

Cn1c(Cc2ccc(C#N)cc2)nc2cc(C3(C(=O)O)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.55
ACSL1 P33121 4/20 0.47
F10 P00742 4/20 0.43
PLG P00747 3/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
RORC P51449 1/20 0.43
IDH1 O75874 4/20 0.39
ITK Q08881 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GLP1R P43220 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8032174 0.88 F2 (0.58) F2ACSL1F10PLGPRSS1
SCHEMBL7426925 0.87 F2 (0.72) F2ACSL1F10PLGPRSS1
SCHEMBL8027187 0.85 F2 (0.41) F2ACSL1F10PLGPRSS1
SCHEMBL8016597 0.84 F2 (0.46) F2ACSL1F10PLGPRSS1
SCHEMBL8016596 0.82 F2 (0.45) F2ACSL1F10PLGPRSS1
SCHEMBL8016601 0.82 F2 (0.46) F2ACSL1F10PLGPRSS1
SCHEMBL8032027 0.78 ACSL1 (0.43) F2ACSL1RORCIDH1ITK
SCHEMBL8029874 0.77 ACSL1 (0.43) ACSL1RORCIDH1ITK
SCHEMBL8029791 0.76 RORC (0.45) F2ACSL1RORCIDH1ITK
SCHEMBL8028137 0.76 CNR2 (0.48) F2ACSL1RORCIDH1L3MBTL1

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