SCHEMBL7508136

SCHEMBL7508136

CC(=O)Nc1c(C(=O)c2cccc(Br)c2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRIK1 P39086 1/20 0.41
TP53 P04637 1/20 0.41
MCL1 Q07820 1/20 0.41
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7504271 0.91 KDM4E (0.47) ALOX15KDM4EMEN1KMT2ATP53
SCHEMBL7503892 0.89 KDM4E (0.45) ALOX15KDM4EMEN1KMT2ATP53
SCHEMBL7498695 0.88 KDM4E (0.44) ALOX15KDM4EMEN1KMT2ATP53
SCHEMBL7505821 0.88 KDM4E (0.50) KDM4EMEN1KMT2A
SCHEMBL7512480 0.88 SMN1; SMN2 (0.45) KDM4EMEN1KMT2ATP53MAPT
SCHEMBL7503003 0.87 KDM4E (0.54) KDM4EMEN1KMT2ATP53POLB
SCHEMBL7502875 0.87 KDM4E (0.43) ALOX15KDM4EMEN1KMT2ATP53
SCHEMBL7508559 0.87 KDM4E (0.43) ALOX15KDM4EMEN1KMT2ATP53
SCHEMBL7502863 0.87 KDM4E (0.43) ALOX15KDM4EMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL7504806 0.86 KDM4E (0.43) ALOX15KDM4EMEN1KMT2ATP53

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 8 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-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