SCHEMBL8533967

SCHEMBL8533967

C=C(c1cc(Br)ccc1OC(C)=O)c1cc2cc(F)ccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MCL1 Q07820 1/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.39
LMNA P02545 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
SCHEMBL8534277 0.84 MCL1 (0.46) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL8532132 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL8531046 0.76 MCL1 (0.51) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL6993501 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL6993497 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL8531608 0.73 MCL1 (0.46) KDM4EHPGDMCL1MEN1KMT2A
SCHEMBL5508959 0.71 MCL1 (0.62) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL2732524 0.71 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL10084375 0.69
SCHEMBL986506 0.68 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10MCL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728709-A COAGULANTS AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-17 US disclosed