SCHEMBL31455106

SCHEMBL31455106

CC(C)(C)OC(=O)Nc1ccc(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
PRMT1 Q99873 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
BCL2 P10415 1/20 0.37
BECN1 Q14457 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL31455545 0.93 ABCG2 (0.41) SYKMEN1MAPTKMT2ALMNA
SCHEMBL31455107 0.90 BRD9 (0.41) MEN1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL31455002 0.87 PRMT1 (0.49) MEN1MAPTKMT2AHTTSMN1; SMN2
SCHEMBL31455294 0.85 BRD9 (0.41) MEN1MAPTKMT2AHTTBRD9
SCHEMBL31455653 0.82 ABCG2 (0.39) MAPTHTTSMN1; SMN2ABCG2
SCHEMBL31420343 0.80 PRMT1 (0.41) MEN1MAPTKMT2ASMN1; SMN2PRMT1
SCHEMBL31455077 0.79 ABCG2 (0.41) MEN1MAPTKMT2APRMT1ABCC9
SCHEMBL31455275 0.78 BRD9 (0.43) SYKMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL17109515 0.77 BRD4 (0.49) MEN1MAPTKMT2ASMN1; SMN2ABCG2
SCHEMBL31420320 0.77 BRD4 (0.49) MEN1MAPTKMT2ASMN1; SMN2ABCG2

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