SCHEMBL6296057

SCHEMBL6296057

CN(C)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ1A Q9NRL2 1/20 0.74
▸ MEN1 O00255 6/20 0.74
▸ KMT2A Q03164 6/20 0.74
▸ PTGES O14684 1/20 0.68
▸ MAPT P10636 6/20 0.65
▸ NPC1 O15118 6/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ MAPK1 P28482 3/20 0.65
▸ LMNA P02545 1/20 0.65
▸ RAB9A P51151 6/20 0.62
▸ GAA P10253 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ MYOC Q99972 1/20 0.62
▸ MCL1 Q07820 1/20 0.61
▸ POLB P06746 2/20 0.61
▸ HTT P42858 1/20 0.61
▸ NOX1 Q9Y5S8 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ ESR2 Q92731 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58

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
SCHEMBL31155742 0.86 ATM (0.69) BAZ1AMEN1KMT2AMAPTNPC1
SCHEMBL6302157 0.86 MEN1 (1.00) MEN1KMT2APTGESMAPTNPC1
SCHEMBL1177730 0.86 MEN1 (1.00) MEN1KMT2APTGESMAPTNPC1
SCHEMBL5448340 0.86 ALDH1A1 (0.67) BAZ1AMEN1KMT2APTGESMAPT
SCHEMBL10779335 0.86 BAZ1A (0.76) BAZ1AMEN1KMT2APTGESMAPT
SCHEMBL29663991 0.84 RAB9A (0.76) BAZ1AMEN1KMT2AMAPTNPC1
SCHEMBL4402970 0.84 CNR1 (0.72) BAZ1AMEN1KMT2APTGESMAPT
SCHEMBL11726706 0.83 RAB9A (0.68) BAZ1AMEN1KMT2APTGESMAPT
SCHEMBL7158133 0.83 MAPT (0.64) BAZ1AMEN1KMT2APTGESMAPT
SCHEMBL218018 0.82 MAPT (0.78) BAZ1AMEN1KMT2AMAPTNPC1

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 3 patents. 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
EP-1224165-A1 NOVEL COMPOUNDS New Pharma Research Sweden AB (SE) 2002-07-24 — — EP disclosed
WO-2001030749-A1 NOVEL COMPOUNDS NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-03 — — WO disclosed
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