SCHEMBL31455162

SCHEMBL31455162

COC(=O)C1CCC(C(=O)Nc2ccc(Nc3cc(C(C)(C)C)ccc3[N+](=O)[O-])cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
NPY5R Q15761 1/20 0.38
BRAF P15056 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL31455202 0.85 KDR (0.44) KMT2ANPC1RAB9ATP53PKM
SCHEMBL31455523 0.85 ABL1 (0.50) KMT2ANPC1RAB9ATP53PKM
SCHEMBL31455424 0.81 NPC1 (0.44) KMT2ANPC1RAB9APKMALDH1A1
SCHEMBL31455675 0.81 MAPT (0.54) KMT2ANPC1RAB9ATP53PKM
SCHEMBL31455494 0.75 HDAC1 (0.44) KMT2ANPC1RAB9ATP53PKM
SCHEMBL31455445 0.73 MAPK1 (0.40) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL31455084 0.73 MAPT (0.39) KMT2ANPC1RAB9ATP53PKM
SCHEMBL31455339 0.73 ABL1 (0.45) KMT2ANPC1RAB9ATP53PKM
SCHEMBL12203141 0.71 NPY5R (0.60) KMT2ANPC1RAB9ATP53PKM
SCHEMBL31455844 0.70 CYP1A2 (0.41) KMT2ANPC1RAB9APKMMEN1

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