SCHEMBL31455485

SCHEMBL31455485

Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PDE4B Q07343 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 4/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.40
RORC P51449 1/20 0.40
HTT P42858 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL19175230 0.91 LMNA (0.44) ALDH1A1LMNAMAPTPDE4BNPC1
SCHEMBL30273782 0.87 PDE4B (0.43) ALDH1A1LMNAMAPTPDE4BKDM4E
SCHEMBL24583314 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPDE4BSMN1; SMN2
SCHEMBL30273842 0.85 MAPT (0.44) ALDH1A1LMNAMAPTPDE4BKMT2A
SCHEMBL24582779 0.85 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPDE4BNPC1
SCHEMBL21381911 0.83 PDE4B (0.49) PDE4BMEN1KMT2AKDM4ERORC
SCHEMBL30149865 0.83 PDE4B (0.49) PDE4BMEN1KMT2AKDM4ERORC
SCHEMBL15174786 0.82 PDE4B (0.46) ALDH1A1LMNAMAPTPDE4BKDM4E
SCHEMBL26685432 0.82 PDGFRB (0.42) ALDH1A1LMNAMAPTPDE4BKMT2A
SCHEMBL12695381 0.82 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPDE4BNPC1

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