SCHEMBL31455489

SCHEMBL31455489

CC(C)(C)OC(=O)Nc1ccc(Nc2cc(F)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ALDH3A1 P30838 2/20 0.42
AR P10275 4/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40
FBP1 P09467 1/20 0.40
NPC1 O15118 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL2134731 0.88 SMN1; SMN2 (0.45) ALDH1A1MAPTL3MBTL1POLBGAA
SCHEMBL31144715 0.86 PRMT1 (0.46) PRMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31455388 0.86 PRMT1 (0.46) PRMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL30896778 0.80 AR (0.48) PRMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1265609 0.80 KCNMA1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7070721 0.80 AR (0.48) PRMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29799606 0.80 KCNMA1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2508268 0.79 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL30378593 0.79 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL12207039 0.79 HTT (0.52) PRMT1ALDH1A1MAPTMEN1KMT2A

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