SCHEMBL31455494

SCHEMBL31455494

COC(=O)C1CCC(C(=O)Nc2ccc(Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MAPK8 P45983 2/20 0.42
MAPK10 P53779 2/20 0.42
MAPK14 Q16539 2/20 0.42
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
ABL1 P00519 5/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL31455390 0.86 HDAC2 (0.56) HDAC1HDAC2MAPK8MAPK10MAPK14
SCHEMBL31455339 0.84 ABL1 (0.45) WNT1GSK3BDYRK1AABL1MAPT
SCHEMBL31455084 0.84 MAPT (0.39) WNT1GSK3BDYRK1AABL1MAPT
SCHEMBL31455333 0.84 MAPT (0.38) WNT1GSK3BDYRK1AABL1MAPT
SCHEMBL31455801 0.81 NPC1 (0.46) ABL1MAPTNPC1RAB9APTPN1
SCHEMBL31455292 0.81 PRMT1 (0.41) GSK3BDYRK1AMAPTNPC1RAB9A
SCHEMBL31455818 0.81 PRMT1 (0.41) GSK3BDYRK1AMAPTNPC1RAB9A
SCHEMBL31455273 0.80 NPC1 (0.40) WNT1GSK3BDYRK1AMAPTNPC1
SCHEMBL31455261 0.78 PTPN2 (0.50) ABL1NPC1RAB9APTPN2PTPN1
SCHEMBL18380144 0.75 HDAC1 (0.71) HDAC1HDAC2MAPK8MAPK10MAPK14

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