SCHEMBL31297066

SCHEMBL31297066

FC(F)(F)c1ccccc1-n1cccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MAPK1 P28482 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PMP22 Q01453 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.51
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
G6PD P11413 1/20 0.44
NTRK1 P04629 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL9527615 1.00 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL29678515 0.86 MAPK1 (0.46) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL27785511 0.83 MAPK1 (0.46) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL12406147 0.81 MAPK1 (0.51) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL12750055 0.80 ALDH1A1 (0.43) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL4341886 0.80 MAPK1 (0.67) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL30332135 0.79 MAPK1 (0.43) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL30332441 0.79 MAPK1 (0.43) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL28324866 0.79 EPHX2 (0.50) MAPTMAPK1KMT2AALDH1A1MEN1
SCHEMBL19823249 0.78 MAPT (0.42) MAPTMAPK1KMT2AALDH1A1MEN1

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-113226321-B Pyrazolyl compounds and methods of use thereof 阿利安制药有限责任公司 2024-12-17 CN disclosed