SCHEMBL29337140

SCHEMBL29337140

O=[N+]([O-])c1ccccc1-c1ccccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
TDP1 Q9NUW8 4/20 0.71
HSD17B10 Q99714 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
STAT6 P42226 1/20 0.57
HIF1A Q16665 1/20 0.57
PHLPP2 Q6ZVD8 1/20 0.57
S100A4 P26447 2/20 0.56
PTPRC P08575 1/20 0.55
PTPN1 P18031 1/20 0.55
SOS1 Q07889 1/20 0.53
GPR35 Q9HC97 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL30987815 1.00 ALDH1A1 (0.71) ALDH1A1TDP1HSD17B10TP53CYP1A2
SCHEMBL30535903 0.97 ALDH1A1 (0.74) ALDH1A1TDP1HSD17B10TP53CYP1A2
SCHEMBL1287837 0.97 ALDH1A1 (0.74) ALDH1A1TDP1HSD17B10TP53CYP1A2
Ammonia Solution, Strong SCHEMBL9060371 0.95 ALDH1A1 (0.71) ALDH1A1TDP1HSD17B10TP53CYP1A2
SCHEMBL29492130 0.89 ALDH1A1 (0.84) ALDH1A1TDP1HSD17B10TP53CYP1A2
SCHEMBL5951442 0.89 ALDH1A1 (0.84) ALDH1A1TDP1HSD17B10TP53CYP1A2
SCHEMBL15055546 0.88 TDP1 (0.67) ALDH1A1TDP1HSD17B10S100A4PTPRC
SCHEMBL16582329 0.88 ALDH1A1 (0.63) ALDH1A1TDP1HSD17B10TP53CYP1A2
SCHEMBL29337154 0.87 ALDH1A1 (0.57) ALDH1A1TDP1HSD17B10TP53CYP1A2
SCHEMBL27489200 0.86 ALDH1A1 (0.61) ALDH1A1TDP1HSD17B10TP53CYP1A2

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-2024151172-A1 CYANODIPHENYL SULFONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AN EMISSIVE LAYER CONTAINING THEM, AN ELECTROLUMINESCENT DEVICE, AND THEIR USE Noctiluca S.A. (PL) 2024-07-18 WO disclosed