SCHEMBL21064475

SCHEMBL21064475

Nc1ccc(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.56
TAAR1 Q96RJ0 2/20 0.53
MAOB P27338 8/20 0.48
MAOA P21397 2/20 0.48
CYP19A1 P11511 3/20 0.47
IDO1 P14902 2/20 0.47
KIF11 P52732 1/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL626371 0.79 TAAR1 (0.64) TAAR1MAOBIDO1DAO
Hydrochloric Acid SCHEMBL1970957 0.77 TAAR1 (0.62) TAAR1MAOBIDO1DAO
SCHEMBL806196 0.76 TAAR1 (0.56) TAAR1MAOBIDO1KIF11TSHR
SCHEMBL24075223 0.75 DAO (0.49) GFERTAAR1MAOBMAOACYP19A1
SCHEMBL8164156 0.75 GFER (1.00) GFERMAOBMAOACYP19A1ALDH1A1
SCHEMBL187043 0.75 GFER (1.00) GFERMAOBMAOACYP19A1ALDH1A1
SCHEMBL3482833 0.75 GFER (1.00) GFERMAOBMAOACYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL23577777 0.74 TAAR1 (0.55) TAAR1MAOBIDO1TSHRMAPK1
SCHEMBL6492763 0.74 IDO1 (0.48) TAAR1MAOBIDO1ALDH1A1DAO
SCHEMBL24080171 0.73 GFER (0.74) GFERMAOBMAOACYP19A1ALDH1A1

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-10310395-B2 Electrophotographic photosensitive member, electrophotographic apparatus, and process cartridge CANON KABUSHIKI KAISHA (JP) 2019-06-04 US disclosed