SCHEMBL3831602

SCHEMBL3831602

CCCCCCCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
PTGDR2 Q9Y5Y4 6/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
F2 P00734 2/20 0.46
APEX1 P27695 1/20 0.45
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
GNRHR P30968 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL1891240 0.99 LMNA (0.52) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1886986 0.96 LMNA (0.53) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1892270 0.93 LMNA (0.55) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1892701 0.89 PTGDR2 (0.55) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL3831592 0.88 LMNA (0.47) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1889128 0.87 LMNA (0.48) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1888096 0.86 LMNA (0.52) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL3054996 0.86 AGTR1 (0.47) LMNAAGTR1AGTR2APEX1THRB
SCHEMBL1892914 0.84 LMNA (0.49) LMNAPTGDR2PKMSMN1; SMN2HSD17B10
SCHEMBL1883833 0.84 PTGDR2 (0.52) LMNAPTGDR2PKMSMN1; SMN2HSD17B10

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-1814865-A4 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-09-02 EP disclosed
EP-1814865-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-08-08 EP disclosed
WO-2006034418-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 WO disclosed