SCHEMBL7958149

SCHEMBL7958149

CCc1c(C(=O)O)[nH]c2ccc(C#N)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
PPARG P37231 1/20 0.64
HIF1A Q16665 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
NR2E3 Q9Y5X4 1/20 0.64
NCOR2 Q9Y618 1/20 0.64
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
FASN P49327 1/20 0.43
MAPT P10636 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL6517272 0.86 PRNP (0.64) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL7451942 0.84 ALDH1A1 (0.50) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL4616859 0.82 ALDH1A1 (0.55) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL6521197 0.82 PRNP (0.59) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL1553071 0.80 NPSR1 (0.71) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL3107611 0.80 PRNP (0.71) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL1894184 0.78 RXFP1 (1.00) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL2538695 0.78 PRNP (0.69) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL8959541 0.78 PRNP (0.69) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL8145329 0.77 KDM4E (0.43) PRNPCYP1A2CYP2C9CYP2C19PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298003-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 EP disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed
EP-0655439-A2 5,6-Bicyclic glycoprotein IIb IIIa antagonists useful in inhibition of platelet aggregation ELI LILLY AND COMPANY (US) 1995-05-31 EP disclosed