SCHEMBL29259243

SCHEMBL29259243

Cc1cc2c(C(O)c3ccc(C(F)(F)F)cc3)ccc(C#N)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
AR P10275 10/20 0.35
PDE2A O00408 3/20 0.34
IGFBP3 P17936 1/20 0.33
MAPT P10636 1/20 0.33
KDM5A P29375 1/20 0.32
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
NOS2 P35228 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL28352950 0.74 AR (0.43) ARMAPTSLC6A4
SCHEMBL29259245 0.74 AR (0.43) ARMAPTCYP2D6SLC6A2SLC6A4
SCHEMBL29259242 0.74 DHODH (0.43)
SCHEMBL28356859 0.73 NQO2 (0.39) ARMAPT
SCHEMBL28352964 0.73 DAO (0.43) ARMAPT
SCHEMBL28958657 0.73 PARP1 (0.42) MAPTCYP2D6
SCHEMBL21008875 0.69 TRPV4 (0.39) ARPGR
SCHEMBL28882601 0.69 AR (0.43) ARSLC6A4
SCHEMBL22438917 0.69 CETP (0.33) TOP2ATOP2BARPDE2AIGFBP3
SCHEMBL20554025 0.68 ELANE (0.44) TOP2ATOP2BMAPT

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