SCHEMBL7470558

SCHEMBL7470558

CCOC(=O)c1cc2cc(OS(=O)(=O)C(F)(F)F)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 2/20 0.39
ABCB11 O95342 1/20 0.39
CCR2 P41597 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
MAOA P21397 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
F10 P00742 1/20 0.37
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LGALS8 O00214 1/20 0.36

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
SCHEMBL8385275 0.83 F10 (0.51) NOD2NOD1MAPTALDH1A1KDM4E
SCHEMBL7461983 0.83 MAOB (0.46) NOD2NOD1MAPTMAPK1ABCB11
SCHEMBL7247001 0.83 MAPT (0.49) NOD2NOD1MAPTALDH1A1KDM4E
SCHEMBL7244666 0.82 MAPT (0.39) NOD2NOD1MAPTALDH1A1KDM4E
SCHEMBL7246776 0.82 EDNRB (0.43) NOD2NOD1MAPTALDH1A1KDM4E
SCHEMBL7493053 0.82 NOD2 (0.45) NOD2NOD1MAPTALDH1A1KDM4E
SCHEMBL7468828 0.81 EDNRB (0.47) NOD2NOD1MAPTPTGS2ABCB11
SCHEMBL7244673 0.79 MAPT (0.39) NOD2NOD1MAPTALDH1A1KDM4E
SCHEMBL7490635 0.79 CCR2 (0.48) NOD2NOD1MAPTALDH1A1KDM4E
SCHEMBL8387936 0.78 MAPT (0.47) NOD2NOD1MAPTTDP1MAPK1

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