SCHEMBL8534277

SCHEMBL8534277

C=C(c1cc(F)ccc1OC(C)=O)c1cc2ccccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
AHR P35869 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
SLC9A1 P19634 1/20 0.41
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
TSHR P16473 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 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
SCHEMBL8531046 0.89 MCL1 (0.51) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8531608 0.86 MCL1 (0.46) MCL1KDM4EHPGDMAPTSLC9A1
SCHEMBL8533967 0.84 KDM4E (0.50) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8531587 0.79 MCL1 (0.47) MCL1AHRKDM4EALDH1A1HPGD
SCHEMBL6996716 0.74 ALB (0.47) MCL1AHRKDM4EALDH1A1HPGD
SCHEMBL6996712 0.74 ALB (0.47) MCL1AHRKDM4EALDH1A1HPGD
SCHEMBL3275631 0.72 MCL1 (0.65) MCL1KDM4EALDH1A1HPGDMAPT
SCHEMBL8535826 0.70 MCL1 (0.44) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5756844 0.70 CFD (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8532179 0.69 MCL1 (0.47) MCL1KDM4EALDH1A1HPGDMAPT

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