SCHEMBL31455176

SCHEMBL31455176

COC(=O)[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CXCR4 P61073 1/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL31687192 1.00 MAPT (0.43) MAPTPOLBTDP1ALDH1A1MAPK1
SCHEMBL31455109 1.00 MAPT (0.43) MAPTPOLBTDP1ALDH1A1MAPK1
SCHEMBL30255307 1.00 MAPT (0.43) MAPTPOLBTDP1ALDH1A1MAPK1
SCHEMBL31455422 0.88 MAPT (0.44) MAPTPOLBTDP1ALDH1A1MAPK1
SCHEMBL28972001 0.81 MEN1 (0.42) ALDH1A1KMT2AMEN1
SCHEMBL30289535 0.81 MAPT (0.56) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL31455344 0.81 MAPT (0.43) MAPTTDP1ALDH1A1MAPK1KDM4E
SCHEMBL31455401 0.81 MAPT (0.43) MAPTTDP1ALDH1A1MAPK1KDM4E
SCHEMBL31455310 0.79 MAPT (0.42) MAPTTDP1ALDH1A1MAPK1KDM4E
SCHEMBL31455436 0.79 MAPT (0.42) MAPTTDP1ALDH1A1MAPK1KDM4E

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed