SCHEMBL7513052

SCHEMBL7513052

O=C(c1ccccc1)c1[nH]c2cc(Cl)ccc2c1NC(=O)C(Cl)CCl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR17 Q13304 1/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MDM2 Q00987 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7512424 0.87 MEN1 (0.42) MEN1NPC1RAB9AKMT2ACNR1
SCHEMBL7508742 0.86 NPSR1 (0.40) MEN1NPC1RAB9AKMT2AGPR17
SCHEMBL7507607 0.85 RAB9A (0.45) MEN1NPC1RAB9AKMT2ACNR1
SCHEMBL7513274 0.84 KMT2A (0.41) MEN1NPC1RAB9AKMT2AGPR17
SCHEMBL7503533 0.84 MEN1 (0.42) MEN1NPC1RAB9AKMT2ACNR1
SCHEMBL7503527 0.84 MEN1 (0.42) MEN1NPC1RAB9AKMT2ACNR1
SCHEMBL7507522 0.84 MAPK1 (0.42) CNR1TP53
SCHEMBL7504463 0.84 KDM4E (0.46) RAB9ACNR1KDM4EALDH1A1MDM2
SCHEMBL6953063 0.84 MEN1 (0.46) MEN1NPC1RAB9AKMT2AGPR17
SCHEMBL7508275 0.83 MEN1 (0.43) MEN1NPC1RAB9AKMT2ACNR1

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