SCHEMBL31146874

SCHEMBL31146874

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(N)c2[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
NPY1R P25929 1/20 0.40
APLNR P35414 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 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
SCHEMBL2707665 0.83 NPC1 (0.41) LMNAMAPTNPC1RAB9AAPLNR
SCHEMBL6096777 0.83 LMNA (0.51) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL4766444 0.81 DCTPP1 (0.43) MAPTNPC1RAB9ANPY1RAPLNR
SCHEMBL31146891 0.80 LMNA (0.49) LMNAMAPTNPC1RAB9AAPLNR
SCHEMBL25381487 0.78 LMNA (0.47) LMNAMAPTNPC1RAB9AAPLNR
SCHEMBL29471047 0.77 KMT2A (0.44) LMNAMAPTNPC1RAB9AKMT2A
SCHEMBL1457286 0.77 NPC1 (0.45) MAPTNPC1RAB9AAPLNRKMT2A
SCHEMBL29471043 0.77 NPC1 (0.36) LMNAMAPTNPC1RAB9AAPLNR
SCHEMBL31600773 0.76 LMNA (0.42) LMNAMAPTNPC1RAB9AAPLNR
SCHEMBL8793065 0.74 PDE3B (0.46) LMNAMAPTNPC1RAB9ANPY1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680606-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS AtmosR (FR) 2026-01-21 EP disclosed
WO-2024194175-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS ATMOSR (FR) 2024-09-26 WO disclosed