SCHEMBL7501468

SCHEMBL7501468

CC(C)CC(=O)Nc1c(C(=O)c2ccoc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MCL1 Q07820 2/20 0.41
ALOX15 P16050 3/20 0.37
IDH1 O75874 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 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
SCHEMBL7505878 0.85 KDM4E (0.52) KDM4EMCL1ALDH1A1HPGDMEN1
SCHEMBL7508887 0.85 MCL1 (0.42) KDM4EMCL1ALOX15ALDH1A1HPGD
SCHEMBL7501923 0.85 KDM4E (0.48) KDM4EMCL1ALOX15TSHRALDH1A1
SCHEMBL7515430 0.82 KDM4E (0.46) KDM4EMCL1ALOX15TSHRALDH1A1
SCHEMBL7511408 0.82 KDM4E (0.48) KDM4EMCL1ALOX15ALDH1A1HPGD
SCHEMBL7509500 0.81 KDM4E (0.43) KDM4EMCL1ALOX15IDH1TSHR
SCHEMBL7505936 0.81 KDM4E (0.44) KDM4EMCL1ALOX15IDH1ALDH1A1
SCHEMBL7512389 0.79 MAPT (0.47) KDM4EMCL1ALDH1A1HPGDKMT2A
SCHEMBL7511741 0.78 KDM4E (0.43) KDM4EALOX15ALDH1A1HPGDMEN1
SCHEMBL7514911 0.77 KDM4E (0.47) KDM4EMCL1ALOX15IDH1ALDH1A1

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