SCHEMBL31461692

SCHEMBL31461692

[N-]=[N+]=NCc1cc(-c2ccccc2[N+](=O)[O-])nn1C1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.32
MAPT P10636 4/20 0.32
NPC1 O15118 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
HPGD P15428 2/20 0.30
PDE4B Q07343 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL31461656 0.84 MAOB (0.35) MAOBMAPTNPC1MEN1KMT2A
SCHEMBL31461730 0.84 RAB9A (0.36) MAOBMAPTNPC1MEN1KMT2A
SCHEMBL30993010 0.74 RXRA (0.31) ALDH1A1
SCHEMBL31461713 0.73 TDP1 (0.40) KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL31461664 0.73 ALDH1A1 (0.37) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL23642592 0.71 CYP4F2 (0.40) ALDH1A1
SCHEMBL29258348 0.69 L3MBTL1 (0.37) MAOBMAPTNPC1MEN1KMT2A
SCHEMBL28796322 0.63 ALDH1A1 (0.40) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL13847415 0.63 CYP4F2 (0.32)
SCHEMBL1960188 0.62 EGFR (0.36) MAPTNPC1MEN1KMT2AALDH1A1

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-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed