SCHEMBL31455122

SCHEMBL31455122

COC(=O)[C@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
TDP1 Q9NUW8 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 2/20 0.34
CTSB P07858 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
S100A4 P26447 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL31455483 0.82 DHFR (0.35) MAPTALDH1A1GAANPC1SMN1; SMN2
SCHEMBL31455365 0.81 MAPT (0.41) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL31455469 0.80 MAPT (0.43) MAPTTDP1NOS3NOS1NOS2
SCHEMBL31455344 0.77 MAPT (0.43) MAPTTDP1NOS3NOS1NOS2
SCHEMBL31455401 0.77 MAPT (0.43) MAPTTDP1NOS3NOS1NOS2
SCHEMBL31455425 0.72 GSK3B (0.36) MAPTALDH1A1HPGDMAPK1NPC1
SCHEMBL31455078 0.71 ALDH1A1 (0.51) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL8949097 0.69 ALDH1A1 (0.50) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL25928005 0.69 ALDH1A1 (0.50) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL1588195 0.67 MAPT (0.42) MAPTTDP1ALDH1A1MAPK1MEN1

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