SCHEMBL7512480

SCHEMBL7512480

CC(=O)Nc1cccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KDR P35968 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
MAOA P21397 1/20 0.42
NHERF1 O14745 2/20 0.42
CYP1A2 P05177 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL7504271 0.92 KDM4E (0.47) MEN1KMT2AKDM4ETP53
SCHEMBL7503892 0.90 KDM4E (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7507912 0.90 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7498695 0.89 KDM4E (0.44) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL7505821 0.89 KDM4E (0.50) MEN1KMT2AKDM4ENHERF1
SCHEMBL7503003 0.88 KDM4E (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7508559 0.88 KDM4E (0.43) MEN1KMT2AKDM4ETP53
SCHEMBL7502875 0.88 KDM4E (0.43) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7502863 0.88 KDM4E (0.43) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL7508136 0.88 ALOX15 (0.44) MAPTL3MBTL1MEN1KMT2AKDM4E

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