SCHEMBL7499985

SCHEMBL7499985

Cc1cccnc1C(=O)c1[nH]c2cc(Cl)ccc2c1N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 4/20 0.40
BCL2 P10415 2/20 0.40
MCL1 Q07820 2/20 0.40
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PTGS2 P35354 1/20 0.39

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 0.82 KDM4E (0.43) TP53SMN1; SMN2ALOX15BCL2MCL1
SCHEMBL6169641 0.82 PTGS2 (0.59) BCL2MCL1PTGS2
SCHEMBL7629398 0.82 ABCB11 (0.43) TP53SMN1; SMN2ALOX15BCL2MCL1
SCHEMBL6168423 0.81 PTGS2 (0.46) TP53SMN1; SMN2BCL2MCL1NOS1
SCHEMBL7508086 0.81 GRM4 (0.42) TP53SMN1; SMN2PTGS2
SCHEMBL8115883 0.80 KDM4E (0.37) TP53SMN1; SMN2ALOX15PTGS2
SCHEMBL27569416 0.79 PTGS2 (0.47) BCL2MCL1PTGS2
SCHEMBL6948992 0.79 PTGS2 (0.52) ALOX15PTGS2
SCHEMBL6946077 0.78 PTGS2 (0.46) ALOX15PTGS2
SCHEMBL7512342 0.77 MAP2K1 (0.44) SMN1; 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 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