SCHEMBL31455453

SCHEMBL31455453

CC(C)Oc1ccc([N+](=O)[O-])c(Nc2ccc(N)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL31455529 0.83 MEN1 (0.43) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL31455499 0.80 MAPT (0.39) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL31455855 0.79 IDO1 (0.45) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL31455445 0.79 MAPK1 (0.40) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL31456002 0.78 MEN1 (0.49) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL31455523 0.77 ABL1 (0.50) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL19781255 0.76 ALDH3A1 (0.46) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL24553617 0.72 MAPT (0.62) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL9940716 0.70 ALDH1A1 (0.51) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL4930929 0.70 MAPT (0.68) MAPTMEN1NPC1RAB9AKMT2A

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 2 patents. 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
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed