SCHEMBL7514911

SCHEMBL7514911

Cc1cccnc1C(=O)c1[nH]c2cc(Cl)ccc2c1NC(=O)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MCL1 Q07820 4/20 0.43
IDH1 O75874 1/20 0.41
BCL2 P10415 1/20 0.39
ALOX15 P16050 5/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7503922 0.86 KDM4E (0.43) KDM4EMCL1BCL2ALOX15TP53
SCHEMBL7505936 0.83 KDM4E (0.44) KDM4EMCL1IDH1ALOX15ALDH1A1
SCHEMBL7505878 0.82 KDM4E (0.52) KDM4EMCL1HPGDALDH1A1
SCHEMBL7501923 0.81 KDM4E (0.48) KDM4EMCL1ALOX15HPGDALDH1A1
SCHEMBL7511408 0.80 KDM4E (0.48) KDM4EMCL1ALOX15TP53HPGD
SCHEMBL7515430 0.80 KDM4E (0.46) KDM4EMCL1BCL2ALOX15TP53
SCHEMBL7503000 0.79 PTGS2 (0.45) KDM4EMCL1IDH1ALOX15HPGD
SCHEMBL7506486 0.78 KDM4E (0.43) KDM4EALOX15TP53
SCHEMBL7499985 0.77 MAP2 (0.42) MCL1BCL2ALOX15TP53SMN1; SMN2
SCHEMBL6168423 0.77 PTGS2 (0.46) MCL1BCL2TP53SMN1; SMN2

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