SCHEMBL7458901

SCHEMBL7458901

CCOC(=O)c1cc2cc(OCc3ccc(C#N)cc3)ccc2n1Cc1cc2c(cc1Cl)OOC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
F10 P00742 2/20 0.38
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.36
ALOX5AP P20292 4/20 0.36
ABCB11 O95342 1/20 0.36
MAOB P27338 2/20 0.36
RAB9A P51151 1/20 0.35
CCR2 P41597 1/20 0.35
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL8387936 0.89 MAPT (0.47) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL7471543 0.83 NOD2 (0.42) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL7465994 0.81 PLA2G4A (0.46) F10ABCB11RAB9ACCR2
SCHEMBL7468828 0.79 EDNRB (0.47) MAPTLMNASMN1; SMN2NOD2NOD1
SCHEMBL8385275 0.78 F10 (0.51) MAPTTDP1TSHRNOD2NOD1
SCHEMBL7461983 0.77 MAOB (0.46) MAPTLMNASMN1; SMN2NOD2NOD1
SCHEMBL8389272 0.76 CCR2 (0.54) F10ABCB11CCR2
SCHEMBL7467118 0.76 CCR2 (0.50) F10ABCB11RAB9ACCR2
SCHEMBL7466632 0.75 CCR2 (0.45) F10ABCB11CCR2S1PR1
SCHEMBL8388593 0.74 CCR2 (0.45) ABCB11CCR2

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-1021181-A4 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORP (US) 2002-06-26 EP disclosed
EP-1021181-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-26 EP disclosed
US-5955492-A Carboxylic acid indole inhibitors of chemokines SMITHKLINE BEECHAM CORPORATION (US) 1999-09-21 US disclosed
WO-1997035572-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed