SCHEMBL7514680

SCHEMBL7514680

CCCCC(=O)Nc1c(C(=O)c2cccc(Cl)c2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
ALOX15 P16050 5/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7503090 0.95 GSK3B (0.49) GSK3BALOX15ALDH1A1KDM4EHPGD
SCHEMBL7506991 0.93 ALOX15 (0.44) GSK3BALOX15ALDH1A1KDM4EHPGD
SCHEMBL7509254 0.93 ALDH1A1 (0.49) GSK3BALOX15ALDH1A1KDM4EHPGD
SCHEMBL7514736 0.90 ALOX15 (0.48) GSK3BALOX15ALDH1A1KDM4EHPGD
SCHEMBL7502054 0.89 KDM4E (0.46) ALOX15ALDH1A1KDM4EHPGDMAPT
SCHEMBL7507638 0.89 ALOX15 (0.49) GSK3BALOX15ALDH1A1KDM4EHPGD
SCHEMBL7501257 0.89 ALOX15 (0.49) GSK3BALOX15ALDH1A1KDM4EHPGD
SCHEMBL7508929 0.89 ALOX15 (0.49) GSK3BALOX15ALDH1A1KDM4EHPGD
SCHEMBL7506242 0.89 ALOX15 (0.49) GSK3BALOX15ALDH1A1KDM4EHPGD
SCHEMBL7506263 0.89 ALOX15 (0.49) GSK3BALOX15ALDH1A1KDM4EHPGD

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 2 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