SCHEMBL31322218

SCHEMBL31322218

CC(F)(F)C(N)(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
KCNN4 O15554 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP3A4 P08684 2/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
HSD11B1 P28845 1/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL27965675 0.81 KCNN4 (0.48) ALDH1A1TSHRKCNN4MAPTKMT2A
SCHEMBL28512430 0.79 KCNN4 (0.46) ALDH1A1KCNN4MAPTKMT2ATAAR1
SCHEMBL9285994 0.76 ALDH1A1 (0.48) ALDH1A1TSHRKCNN4MAPTKMT2A
SCHEMBL25930137 0.76 ALDH1A1 (0.48) ALDH1A1TSHRMAPTKMT2ATAAR1
SCHEMBL1258172 0.75 KCNN4 (0.52) ALDH1A1KCNN4MAPTKMT2ATAAR1
SCHEMBL4145653 0.75 KCNN4 (0.52) ALDH1A1KCNN4MAPTKMT2ATAAR1
SCHEMBL3818905 0.75 KCNN4 (0.52) ALDH1A1KCNN4MAPTKMT2ATAAR1
SCHEMBL2761335 0.75 ALDH1A1 (0.52) ALDH1A1TSHRKCNN4MAPTKMT2A
SCHEMBL7576295 0.75 ALDH1A1 (0.52) ALDH1A1TSHRKCNN4MAPTKMT2A
SCHEMBL28034552 0.75 ALDH1A1 (0.52) ALDH1A1TSHRKCNN4MAPTKMT2A

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-2025038930-A1 AZEPANE AND PYRROLIDINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS, INC. (CA) 2025-02-20 WO disclosed