SCHEMBL29259245

SCHEMBL29259245

Cc1cc2c(Sc3ccc(C(F)(F)F)cc3)ccc(C#N)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.43
PGR P06401 1/20 0.38
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.34
XDH P47989 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29259242 0.76 DHODH (0.43)
SCHEMBL28352950 0.76 AR (0.43) ARSLC6A4MAPT
SCHEMBL28356859 0.75 NQO2 (0.39) ARMAPT
SCHEMBL28352964 0.75 DAO (0.43) ARMAPT
SCHEMBL29259243 0.74 TOP2A (0.37) ARPGRSLC6A4SLC6A2MAPT
SCHEMBL28958657 0.72 PARP1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL21008875 0.71 TRPV4 (0.39) ARPGRALDH1A1KDM4EHPGD
SCHEMBL28882601 0.71 AR (0.43) ARSLC6A4
SCHEMBL22439289 0.68 AR (0.39) ARPGRSLC6A4SLC6A2SLC6A3
SCHEMBL8113801 0.67 MAOA (0.51) ARPGRSLC6A4SLC6A2SLC6A3

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-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed