SCHEMBL31455365

SCHEMBL31455365

COC(=O)[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])c(C)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE7A Q13946 1/20 0.36
HPGD P15428 1/20 0.35
CTSB P07858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL31455122 0.81 MAPT (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31455422 0.79 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30255307 0.76 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31455176 0.76 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31687192 0.76 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31455109 0.76 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30289535 0.74 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31184651 0.73 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31455078 0.72 ALDH1A1 (0.51) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL31184814 0.72 MAPT (0.40) MAPTALDH1A1MEN1KMT2AKDM4E

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