SCHEMBL10333381

SCHEMBL10333381

N#Cc1cccn1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
VCAM1 P19320 4/20 0.31
AR P10275 1/20 0.31
FBP1 P09467 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAB9A P51151 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
SCHEMBL3244128 0.82
SCHEMBL9015208 0.68 ALDH1A1 (0.36) LMNAALDH1A1
SCHEMBL6800419 0.64 L3MBTL1 (0.41) LMNAFBP1ALDH1A1
SCHEMBL7015023 0.64 GAA (0.45) LMNAALDH1A1
SCHEMBL28113971 0.64 ALDH1A1 (0.36) LMNAFBP1ALDH1A1
SCHEMBL27977646 0.63
SCHEMBL27739596 0.63
SCHEMBL28309527 0.63
SCHEMBL3934072 0.63
SCHEMBL27592302 0.60 PARP1 (0.36) LMNAGLAALDH1A1

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
JP-2237971-A None JP disclosed
JP-H02237971-A CONTROL OF HARMFUL LIFE AMERICAN CYANAMID CO 1990-09-20 JP disclosed