SCHEMBL31455107

SCHEMBL31455107

Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.41
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRMT1 Q99873 1/20 0.39
GAA P10253 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
TNIK Q9UKE5 1/20 0.38
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
BRD4 O60885 2/20 0.37
BTK Q06187 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL31455106 0.90 SYK (0.40) BRD9MEN1KMT2ALMNAMAPT
SCHEMBL31455002 0.88 PRMT1 (0.49) BRD9MEN1KMT2AMAPTMAPK1
SCHEMBL31455545 0.85 ABCG2 (0.41) BRD9MEN1KMT2ARAB9ALMNA
SCHEMBL31455294 0.84 BRD9 (0.41) BRD9POLBMEN1KMT2ANPC1
SCHEMBL31455361 0.81 ADORA1 (0.40) POLBCTDSP1MEN1KMT2ANPC1
SCHEMBL31420343 0.81 PRMT1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31455077 0.79 ABCG2 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31455141 0.79 POLB (0.36) POLBCTDSP1MEN1KMT2ANPC1
SCHEMBL17109515 0.78 BRD4 (0.49) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL31420320 0.78 BRD4 (0.49) MEN1KMT2AMAPTMAPK1SMN1; 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