SCHEMBL31455294

SCHEMBL31455294

Cc1c(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])ccc(NC(=O)OC(C)(C)C)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.41
P2RX7 Q99572 1/20 0.36
ELANE P08246 1/20 0.35
CTRB1 P17538 1/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PRMT1 Q99873 1/20 0.34
GSTP1 P09211 1/20 0.34
GSTM2 P28161 1/20 0.34
LCK P06239 1/20 0.34
GAA P10253 1/20 0.33

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 0.85 ABCG2 (0.41) BRD9MAPTHTTRAB9APRMT1
SCHEMBL31455106 0.85 SYK (0.40) BRD9MAPTHTTPRMT1BCL2
SCHEMBL31455107 0.84 BRD9 (0.41) BRD9MAPTNPC1RAB9AMAPK1
SCHEMBL31455002 0.82 PRMT1 (0.49) BRD9MAPTHTTMAPK1PRMT1
SCHEMBL31455449 0.80 GSK3B (0.39) MAPTHTTNPC1ALDH1A1TDP1
SCHEMBL31455503 0.79 ABCG2 (0.38) MAPTHTTALDH1A1TDP1L3MBTL1
SCHEMBL31420343 0.78 PRMT1 (0.41) MAPTNPC1RAB9APRMT1BCL2
SCHEMBL31455145 0.78 CYP3A4 (0.33) P2RX7MAPTNPC1ALDH1A1RAB9A
SCHEMBL31455077 0.76 ABCG2 (0.41) MAPTNPC1RAB9AMAPK1PRMT1
SCHEMBL17109515 0.75 BRD4 (0.49) MAPTMAPK1TDP1L3MBTL1ABCG2

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