SCHEMBL4962964

SCHEMBL4962964

COC(=O)c1cccc([N+](=O)[O-])c1.O=C(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.76
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
ALDH1A1 P00352 5/20 0.59
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
MAPT P10636 6/20 0.56
POLB P06746 2/20 0.56
RAB9A P51151 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
PYGL P06737 1/20 0.55
TSHR P16473 2/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL1572442 0.94 MEN1 (0.76) TP53MEN1KMT2AALDH1A1CES2
SCHEMBL31103641 0.94 MEN1 (0.76) TP53MEN1KMT2AALDH1A1CES2
Methyl Benzoate SCHEMBL29102092 0.92 MEN1 (0.71) TP53MEN1KMT2AALDH1A1CES2
SCHEMBL27858189 0.92 MEN1 (0.74) TP53MEN1KMT2AALDH1A1CES2
Methane SCHEMBL28043489 0.92 MEN1 (0.74) TP53MEN1KMT2AALDH1A1CES2
Fluoride SCHEMBL28307367 0.92 MEN1 (0.74) TP53MEN1KMT2AALDH1A1CES2
Ammonia Solution, Strong SCHEMBL27704150 0.92 MEN1 (0.74) TP53MEN1KMT2AALDH1A1CES2
Dinitrophenylene SCHEMBL27567750 0.88 MEN1 (0.64) TP53MEN1KMT2AALDH1A1CES2
Methyl Alcohol SCHEMBL27634070 0.87 TP53 (0.93) TP53MEN1KMT2AALDH1A1CES2
Benzenethiol SCHEMBL28085230 0.87 MEN1 (0.64) TP53MEN1KMT2AALDH1A1CES2

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-1888546-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO disclosed