SCHEMBL3831473

SCHEMBL3831473

CCOC(=O)c1cc(-c2ccco2)n(-c2cccc(C#N)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
POLB P06746 5/20 0.46
HPGD P15428 7/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 7/20 0.44
GAA P10253 2/20 0.44
FAAH O00519 3/20 0.44
HSD17B10 Q99714 4/20 0.44
USP2 O75604 2/20 0.44
TSHR P16473 2/20 0.44
MGLL Q99685 2/20 0.43
ELANE P08246 1/20 0.43
MAPT P10636 2/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL30279510 0.92 FAAH (0.46) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL31067607 0.89 MEN1 (0.47) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL17064882 0.89 MEN1 (0.47) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL31067635 0.86 MEN1 (0.43) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL18604934 0.86 MEN1 (0.43) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL1765264 0.86 CA9 (0.54) ALDH1A1HPGDKMT2AMCL1KDM4E
SCHEMBL13389277 0.85 ALDH1A1 (0.60) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL17064468 0.84 RPA1 (0.48) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL31067560 0.84 RPA1 (0.48) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL5382388 0.84 ALDH1A1 (0.46) ALDH1A1POLBHPGDKMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed