SCHEMBL31455150

SCHEMBL31455150

CC(C)(C)OC(=O)Nc1ccc(Nc2cc(-c3ccccc3)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.44
ABCC1 P33527 2/20 0.43
BCL2 P10415 2/20 0.42
BECN1 Q14457 1/20 0.42
PKM P14618 1/20 0.40
HDAC1 Q13547 2/20 0.40
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAP4K4 O95819 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP17A1 P05093 1/20 0.38
CGAS Q8N884 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PRMT1 Q99873 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
SCHEMBL31455844 0.85 CYP1A2 (0.41) BCL2PKMHDAC1NPC1NFKB1
SCHEMBL31455424 0.85 NPC1 (0.44) PKMHDAC1NPC1NFKB1RAB9A
SCHEMBL31455318 0.84 HDAC1 (0.50) BCL2HDAC1GSK3BDYRK1AMAP4K4
SCHEMBL31455499 0.83 MAPT (0.39) HDAC1NPC1RAB9ASMN1; SMN2PRMT1
SCHEMBL31455389 0.82 MEN1 (0.43) SMN1; SMN2PRMT1
SCHEMBL31420343 0.82 PRMT1 (0.41) BCL2BECN1PKMHDAC1GSK3B
SCHEMBL14183129 0.77 BCL2 (0.53) BCL2HDAC1GSK3BDYRK1ACYP17A1
SCHEMBL31455428 0.77 FGFR4 (0.44) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL3236492 0.76 ABCB1 (0.60) ABCB1ABCC1NPC1RAB9ASMN1; SMN2
SCHEMBL5868990 0.76 ABCB1 (0.60) ABCB1ABCC1NPC1RAB9ASMN1; SMN2

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