SCHEMBL2491639

SCHEMBL2491639

COc1ccc(COc2cc(-c3nc(C(=O)O)ccc3-c3ccccc3C)ccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
PIK3CD O00329 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGER1 P34995 4/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
KMO O15229 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
NOTUM Q6P988 1/20 0.39
DHODH Q02127 1/20 0.38

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
SCHEMBL2490382 0.93 KDM4E (0.43) MCL1PIK3CDKDM4EALDH1A1CYP1A2
SCHEMBL4037851 0.93 PTGER1 (0.47) MCL1PTGER1MRGPRX4P4HTMNOTUM
SCHEMBL912923 0.92 NOTUM (0.44) MCL1PIK3CDKDM4EALDH1A1CYP1A2
SCHEMBL544584 0.86 NOTUM (0.51) MCL1KDM4EPTGER1MAPTMRGPRX4
SCHEMBL4038711 0.86 FFAR1 (0.42) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4041123 0.85 MCL1 (0.46) MCL1KDM4EPTGER1MAPTMRGPRX4
SCHEMBL2488886 0.85 CSNK2A2 (0.39) MCL1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2492927 0.85 KMO (0.44) MCL1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL914548 0.85 NOTUM (0.45) PIK3CDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2492027 0.84 CSNK2A2 (0.41) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19

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-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP disclosed
EP-2238110-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009115665-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI-AVENTIS (FR) 2009-09-24 WO disclosed