SCHEMBL31455251

SCHEMBL31455251

CC(C)(C)OC(=O)Nc1ccc(Nc2nc(F)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCL1 Q07820 1/20 0.41
PTK2B Q14289 1/20 0.41
SYK P43405 1/20 0.39
HSF1 Q00613 1/20 0.38
NAMPT P43490 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL31455428 0.89 FGFR4 (0.44) PRMT1MEN1KMT2AMAPTCYP1A2
SCHEMBL31455563 0.88 PRMT1 (0.43) PRMT1MEN1KMT2AMAPTCYP1A2
SCHEMBL31455818 0.88 PRMT1 (0.41) PRMT1MEN1KMT2AMAPTCYP1A2
SCHEMBL31455292 0.88 PRMT1 (0.41) PRMT1MEN1KMT2AMAPTCYP1A2
SCHEMBL31420343 0.85 PRMT1 (0.41) PRMT1MEN1KMT2AMAPTCYP1A2
SCHEMBL31455392 0.82 PORCN (0.41) PRMT1MEN1KMT2AMAPTCYP1A2
SCHEMBL31455417 0.81 PRMT1 (0.39) PRMT1MEN1KMT2AMAPTCYP1A2
SCHEMBL31455040 0.81 PRMT1 (0.40) PRMT1MEN1KMT2AMAPTCYP1A2
SCHEMBL31455424 0.78 NPC1 (0.44) PRMT1MEN1KMT2AMAPTCYP1A2
SCHEMBL31455844 0.78 CYP1A2 (0.41) PRMT1MEN1KMT2AMAPTCYP1A2

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