SCHEMBL31455469

SCHEMBL31455469

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPBWR1 P48145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.37
POLB P06746 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL31455344 0.88 MAPT (0.43) MAPTTDP1NOS3NOS1NOS2
SCHEMBL31455401 0.88 MAPT (0.43) MAPTTDP1NOS3NOS1NOS2
SCHEMBL31455034 0.82 ALDH1A1 (0.39) MAPTMEN1KMT2AGAATSHR
SCHEMBL31455422 0.80 MAPT (0.44) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL31455122 0.80 MAPT (0.40) MAPTTDP1MEN1KMT2ANOS3
SCHEMBL31455436 0.76 MAPT (0.42) MAPTTDP1NPC1ALDH1A1SMN1; SMN2
SCHEMBL31455310 0.76 MAPT (0.42) MAPTTDP1NPC1ALDH1A1SMN1; SMN2
SCHEMBL31455368 0.76 MAPT (0.42) MAPTTDP1NPC1ALDH1A1SMN1; SMN2
SCHEMBL8949097 0.75 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL25928005 0.75 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A

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