SCHEMBL31455273

SCHEMBL31455273

COC(=O)C1CCC(C(=O)Nc2ccc(Nc3nc(-n4cccn4)ccc3[N+](=O)[O-])cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 3/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
KMT2A Q03164 5/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
ADRB2 P07550 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PTBP1 P26599 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
SCHEMBL31455417 0.82 PRMT1 (0.39) NPC1RAB9AKMT2AGSK3BDYRK1A
SCHEMBL31455339 0.82 ABL1 (0.45) NPC1RAB9ATP53PKMHSD17B10
SCHEMBL31455494 0.80 HDAC1 (0.44) NPC1RAB9ATP53PKMHSD17B10
SCHEMBL31455084 0.77 MAPT (0.39) NPC1RAB9ATP53PKMHSD17B10
SCHEMBL31455333 0.76 MAPT (0.38) NPC1RAB9ATP53PKMHSD17B10
SCHEMBL31371426 0.76 MEN1 (0.41) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL31455353 0.75 MAPT (0.38) RAB9AKMT2AGSK3BALDH1A1MAPT
SCHEMBL31455162 0.72 KMT2A (0.42) NPC1RAB9ATP53PKMHSD17B10
SCHEMBL31455523 0.72 ABL1 (0.50) NPC1RAB9ATP53PKMHSD17B10
SCHEMBL31455202 0.70 KDR (0.44) NPC1RAB9ATP53PKMHSD17B10

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