SCHEMBL7513274

SCHEMBL7513274

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
GPR17 Q13304 1/20 0.39
SERPINE1 P05121 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
SCHEMBL7508742 0.90 NPSR1 (0.40) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7507607 0.87 RAB9A (0.45) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7512424 0.86 MEN1 (0.42) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7503533 0.86 MEN1 (0.42) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7503527 0.86 MEN1 (0.42) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7508042 0.86 ALDH1A1 (0.50) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6953063 0.86 MEN1 (0.46) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7508275 0.85 MEN1 (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7507461 0.85 ALDH1A1 (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7502892 0.84 SERPINE1 (0.48) KMT2AMEN1NPC1RAB9AKDM4E

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