SCHEMBL4041123

SCHEMBL4041123

Cc1ccc(-c2ccc(C(=O)O)nc2-c2ccc(Cl)c(OCc3ccccc3)c2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
PTGER1 P34995 6/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
CTSA P10619 2/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NOTUM Q6P988 1/20 0.41
XDH P47989 2/20 0.40
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL544396 0.93 PTGER1 (0.44) MCL1PTGER1MRGPRX4CTSAMGAM
SCHEMBL4037851 0.92 PTGER1 (0.47) MCL1PTGER1MRGPRX4CTSAMGAM
SCHEMBL544699 0.92 NOTUM (0.49) MCL1PTGER1MRGPRX4CTSAMGAM
SCHEMBL4037697 0.87 PTGER1 (0.50) MCL1PTGER1MRGPRX4CTSAMGAM
SCHEMBL2491639 0.85 MCL1 (0.43) MCL1PTGER1MRGPRX4NOTUMKDM4E
SCHEMBL544584 0.84 NOTUM (0.51) MCL1PTGER1MRGPRX4CTSAMGAM
SCHEMBL4037797 0.82 PTGER1 (0.48) MCL1PTGER1MRGPRX4CTSAMGAM
SCHEMBL4038959 0.82 PTGER1 (0.48) MCL1PTGER1MRGPRX4CTSAMGAM
Hydrochloric Acid SCHEMBL544394 0.82 KDM4E (0.44) CTSAKDM4EMAPTMAPK1ATM
SCHEMBL4041924 0.82 PTGER1 (0.46) PTGER1MRGPRX4MGAMGAASI

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-2439193-B1 Derivatives of 5,6-bisaryl-2-pyridine-carboxamide, preparation and use thereof in therapeutics as antagonists of urotensin II receptors SANOFI SA (FR) 2014-04-23 EP disclosed
EP-2059508-B1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI SA (FR) 2012-04-11 EP disclosed
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO disclosed