SCHEMBL6953292

SCHEMBL6953292

Cc1cccc(C(=O)c2[nH]c3cc(Cl)ccc3c2N)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.45
ENPP2 Q13822 1/20 0.44
CNR2 P34972 1/20 0.42
PARP1 P09874 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6953887 0.90 ALOX15 (0.50) ALOX15PARP1
SCHEMBL7503753 0.86 ENPP2 (0.50) ALOX15ENPP2
SCHEMBL7508221 0.86 PARP1 (0.49) ALOX15ENPP2PARP1
SCHEMBL6949254 0.85 MEN1 (0.49) ALOX15NPC1RAB9A
SCHEMBL7506835 0.85 ALOX15 (0.53) ALOX15ENPP2PARP1
SCHEMBL7510254 0.84 ALOX15 (0.51) ALOX15PARP1NPC1RAB9A
SCHEMBL7502823 0.84 KMT2A (0.57) ALOX15PARP1NPC1RAB9A
SCHEMBL7508566 0.82 MCL1 (0.47) ALOX15
SCHEMBL6954781 0.82 KCNK3 (0.42) ALOX15ENPP2PARP1NPC1RAB9A
SCHEMBL6953897 0.82 ENPP2 (0.44) ENPP2

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 11 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 claimed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US claimed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP claimed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO claimed
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP disclosed
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
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed