SCHEMBL6296156

SCHEMBL6296156

O=C(NCc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.67
ERCC4 Q92889 1/20 0.67
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
NAMPT P43490 1/20 0.59
PRMT3 O60678 1/20 0.58
CCR5 P51681 1/20 0.58
CNR1 P21554 1/20 0.55
CYP19A1 P11511 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MYOC Q99972 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 1/20 0.51

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
SCHEMBL6297252 0.87 CNR1 (0.70) ERCC1ERCC4MEN1KMT2ACCR5
SCHEMBL108218 0.83 ERCC1 (0.78) ERCC1ERCC4MEN1KMT2AMAPT
SCHEMBL21597887 0.82 NAMPT (0.63) MEN1KMT2ANAMPTPRMT3CNR1
SCHEMBL31275174 0.81 CNR1 (0.76) ERCC1ERCC4MEN1KMT2ANAMPT
SCHEMBL6302141 0.81 CCR5 (0.55) ERCC1ERCC4MEN1KMT2ACCR5
SCHEMBL28554994 0.81 NAMPT (0.64) MEN1KMT2ANAMPTPRMT3CNR1
SCHEMBL15306500 0.81 NAMPT (0.72) MEN1KMT2ANAMPTCYP19A1GAA
SCHEMBL15306501 0.79 KMT2A (1.00) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11619512 0.78 ALDH1A1 (0.74) MEN1KMT2ANAMPTMAPTHTT
SCHEMBL6296131 0.78 NPC1 (0.54) MEN1KMT2ACCR5CNR1MAPT

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
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed