SCHEMBL7512358

SCHEMBL7512358

CCCC(=S)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
CNR1 P21554 2/20 0.43
TP53 P04637 1/20 0.42
GPR17 Q13304 1/20 0.42

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
SCHEMBL7503947 0.92 CNR1 (0.43) ALOX15CNR1TP53
SCHEMBL7505102 0.89 ALDH1A1 (0.51) ALOX15CNR1TP53GPR17
SCHEMBL7509254 0.86 ALDH1A1 (0.49) ALOX15CNR1
SCHEMBL7503731 0.85 KDM4E (0.50) ALOX15CNR1TP53
SCHEMBL7514736 0.85 ALOX15 (0.48) ALOX15CNR1
SCHEMBL7507638 0.84 ALOX15 (0.49) ALOX15CNR1
SCHEMBL7508929 0.84 ALOX15 (0.49) ALOX15CNR1
SCHEMBL7506242 0.84 ALOX15 (0.49) ALOX15CNR1
SCHEMBL7501257 0.84 ALOX15 (0.49) ALOX15CNR1
SCHEMBL7506263 0.84 ALOX15 (0.49) ALOX15CNR1

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-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed