SCHEMBL31455499

SCHEMBL31455499

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT1 Q99873 1/20 0.38
LMNA P02545 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C1 Q04828 1/20 0.37
P2RX3 P56373 1/20 0.36
DHODH Q02127 1/20 0.36
NAMPT P43490 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL31455389 0.88 MEN1 (0.43) MAPTMEN1HTTKMT2APRMT1
SCHEMBL31455424 0.85 NPC1 (0.44) MAPTNPC1RAB9AMEN1HTT
SCHEMBL31455844 0.85 CYP1A2 (0.41) MAPTNPC1RAB9AMEN1HTT
SCHEMBL31455150 0.83 ABCB1 (0.44) NPC1RAB9APRMT1SMN1; SMN2HDAC1
SCHEMBL31456002 0.81 MEN1 (0.49) MAPTNPC1RAB9AMEN1HTT
SCHEMBL31455523 0.80 ABL1 (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL31455453 0.80 MAPT (0.41) MAPTNPC1RAB9AMEN1HTT
SCHEMBL12924121 0.78 ABL1 (0.44) LMNAALDH1A1NAMPTHDAC1
SCHEMBL31455428 0.77 FGFR4 (0.44) MAPTNPC1RAB9AMEN1HTT
SCHEMBL31455563 0.76 PRMT1 (0.43) MAPTNPC1RAB9AMEN1KMT2A

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed