SCHEMBL30744980

SCHEMBL30744980

COC(=O)c1cc(C#N)cc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SDHB P21912 2/20 0.38
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
CFTR P13569 1/20 0.36
SYK P43405 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RBP4 P02753 1/20 0.36
GPR35 Q9HC97 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL20944312 1.00 MAPT (0.39) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3099034 0.85 ALDH1A1 (0.44) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3098843 0.81 SYK (0.39) LOXL2ALPLALPISYKRBP4
SCHEMBL20944049 0.80 MAPT (0.39) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL21199850 0.78 SMN1; SMN2 (0.43) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL21200024 0.77 ALDH1A1 (0.44) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL2342015 0.77 NQO2 (0.46) MAPTKDM4EALDH1A1HPGDSDHB
SCHEMBL2340704 0.77 MAPT (0.52) MAPTKDM4EALDH1A1HPGDSDHB
SCHEMBL20944381 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL21199812 0.77 NOTUM (0.54) MAPTKDM4EALDH1A1HPGDCYP1A2

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed