SCHEMBL28817090

SCHEMBL28817090

NC(=O)OC1CCC(c2ccc(Br)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
FFAR4 Q5NUL3 3/20 0.37
KCNH2 Q12809 2/20 0.37
RCOR1 Q9UKL0 2/20 0.37
KDM1B Q8NB78 1/20 0.37
PTPRF P10586 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
CYP2C9 P11712 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL3497518 0.84 FFAR4 (0.40) KDM1AMAOBMAOAFFAR4PTPRF
SCHEMBL3497521 0.84 FFAR4 (0.40) KDM1AMAOBMAOAFFAR4PTPRF
SCHEMBL25860487 0.75 CYP2C9 (0.43) KDM1AMAOBMAOAKCNH2RCOR1
SCHEMBL23368653 0.75 CYP2C9 (0.43) KDM1AMAOBMAOAKCNH2RCOR1
SCHEMBL25860508 0.75 CYP2C9 (0.43) KDM1AMAOBMAOAKCNH2RCOR1
SCHEMBL28817171 0.74 HIF1A (0.40) FFAR4
SCHEMBL28413632 0.73 AKR1C3 (0.47) AKR1C3AKR1C1RAB9AATM
SCHEMBL24040028 0.73 AKR1C3 (0.47) AKR1C3AKR1C1RAB9AATM
SCHEMBL24040040 0.73 AKR1C3 (0.47) AKR1C3AKR1C1RAB9AATM
SCHEMBL12814000 0.72 KDM1A (0.48) KDM1AMAOBMAOAKCNH2RCOR1

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
CN-108341774-B Substituted quinolinone inhibitors 首药控股(北京)股份有限公司 2022-07-19 CN disclosed