SCHEMBL31455344

SCHEMBL31455344

COC(=O)[C@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
TDP1 Q9NUW8 2/20 0.43
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.35
CTSK P43235 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
IDO1 P14902 2/20 0.34

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
SCHEMBL31455401 1.00 MAPT (0.43) MAPTTDP1NOS3NOS1NOS2
SCHEMBL31455469 0.88 MAPT (0.43) MAPTTDP1NOS3NOS1NOS2
SCHEMBL31455310 0.88 MAPT (0.42) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31455436 0.88 MAPT (0.42) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31455368 0.88 MAPT (0.42) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31455549 0.82 ALDH1A1 (0.36) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL31455336 0.82 ALDH1A1 (0.36) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL31455109 0.81 MAPT (0.43) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31455176 0.81 MAPT (0.43) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31687192 0.81 MAPT (0.43) MAPTTDP1ALDH1A1HPGDMAPK1

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