SCHEMBL25815701

SCHEMBL25815701

COC(=O)c1cc(-c2c(C)cccc2C)c2nc(C)cn2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH1A3 P47895 1/20 0.39
GRM5 P41594 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
IL2 P60568 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MAPK14 Q16539 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL25417903 0.81 KDM4E (0.41) MAPTNPC1RAB9AALDH1A1GRM5
SCHEMBL3377871 0.81 MAPK14 (0.46) MAPTNPC1RAB9AALDH1A1ALDH1A2
SCHEMBL31309742 0.79 MAPT (0.43) MAPTNPC1RAB9AALDH1A1GRM5
SCHEMBL31309460 0.77 GAA (0.41) MAPTNPC1RAB9AALDH1A1ALDH1A2
SCHEMBL22425798 0.76 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL25182134 0.76 POLB (0.42) MAPTNPC1RAB9AALDH1A1GRM5
SCHEMBL31309494 0.76 ALDH1A1 (0.33) MAPTNPC1RAB9AALDH1A1ALDH1A2
SCHEMBL31309605 0.75 SUV39H2 (0.35) MAPTNPC1RAB9AALDH1A1GRM5
SCHEMBL31309750 0.75 KDM4E (0.40) MAPTNPC1RAB9AALDH1A1GRM5
SCHEMBL31309321 0.74 ALDH1A1 (0.43) MAPTNPC1RAB9AALDH1A1GRM5

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-2023125182-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF 海思科医药集团股份有限公司 2023-07-06 WO disclosed