SCHEMBL31461656

SCHEMBL31461656

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
ALDH1A1 P00352 7/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
RAB9A P51151 4/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
F2RL3 Q96RI0 1/20 0.32
MAPK1 P28482 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APAF1 O14727 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
CYP4F2 P78329 2/20 0.32

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
SCHEMBL31461730 0.90 RAB9A (0.36) MAOBALDH1A1NPC1MAPTMEN1
SCHEMBL31461692 0.84 MAOB (0.32) MAOBALDH1A1NPC1MAPTMEN1
SCHEMBL31461713 0.78 TDP1 (0.40) ALDH1A1KMT2AL3MBTL1RAB9ASMN1; SMN2
SCHEMBL31461664 0.76 ALDH1A1 (0.37) ALDH1A1NPC1MAPTMEN1KMT2A
SCHEMBL29258348 0.73 L3MBTL1 (0.37) MAOBALDH1A1NPC1MAPTMEN1
SCHEMBL30993537 0.71 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL28796322 0.69 ALDH1A1 (0.40) ALDH1A1NPC1MAPTMEN1KMT2A
SCHEMBL24962477 0.66 CYP4F2 (0.44) ALDH1A1GAAPOLBCYP4F2CYP4A11
SCHEMBL1960188 0.66 EGFR (0.36) ALDH1A1NPC1MAPTMEN1KMT2A
SCHEMBL165273 0.65 RXRA (0.40) ALDH1A1NPC1MAPTMEN1KMT2A

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