SCHEMBL31455422

SCHEMBL31455422

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPBWR1 P48145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.39
CXCR4 P61073 1/20 0.38

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 0.88 MAPT (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30255307 0.88 MAPT (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31455109 0.88 MAPT (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31455176 0.88 MAPT (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30289535 0.82 MAPT (0.56) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL31455469 0.80 MAPT (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31455365 0.79 MAPT (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31184814 0.78 MAPT (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15199158 0.75 MAPT (0.46) MAPTMEN1KMT2ALMNATDP1
SCHEMBL31184651 0.74 ALDH1A1 (0.43) MAPTMEN1KMT2APOLBTDP1

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