SCHEMBL24075223

SCHEMBL24075223

Nc1ccc(CCc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.49
TAAR1 Q96RJ0 2/20 0.49
GFER P55789 1/20 0.45
MAOB P27338 8/20 0.44
KIF11 P52732 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6815067 0.81 TAAR1 (0.52) DAOTAAR1MAOB
SCHEMBL23865129 0.81 TAAR1 (0.53) DAOTAAR1MAOBAOC3
SCHEMBL5112530 0.76 GLA (0.44) TAAR1GFERCYP3A4TSHRCYP19A1
SCHEMBL21064475 0.75 GFER (0.56) DAOTAAR1GFERMAOBKIF11
SCHEMBL19430923 0.75 IDO1 (0.44) DAOTAAR1MAOBAOC3
SCHEMBL18241901 0.74 DAO (0.51) DAO
SCHEMBL18377965 0.74 DAO (0.55) DAO
SCHEMBL22972987 0.74 DAO (0.51) DAOCYP3A4CYP2D6
SCHEMBL13349970 0.74 DAO (0.51) DAO
SCHEMBL27975927 0.74 DAO (0.51) DAO

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
WO-2021238328-A1 COMPOUND CONTAINING HYDROXAMIC ACID, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2021-12-02 WO disclosed