SCHEMBL6296131

SCHEMBL6296131

O=C(NCC(O)c1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
CCR5 P51681 1/20 0.46
CNR1 P21554 1/20 0.46
CXCR1 P25024 1/20 0.45
CXCR2 P25025 1/20 0.45

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
SCHEMBL6295781 0.78 MEN1 (0.51) NPC1MEN1KMT2ACA12CA1
SCHEMBL6295780 0.78 MEN1 (0.51) NPC1MEN1KMT2ACA12CA1
SCHEMBL6296156 0.78 ERCC1 (0.67) NPC1MEN1KMT2ACA12CA1
SCHEMBL9354167 0.77 KMT2A (0.63) NPC1MEN1KMT2AALDH1A1PKM
SCHEMBL6297252 0.76 CNR1 (0.70) MEN1KMT2ACA12CA1CA2
SCHEMBL6302141 0.75 CCR5 (0.55) NPC1MEN1KMT2ACA12CA1
SCHEMBL23728129 0.72 NPC1 (0.75) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL16552433 0.72 CASR (0.67) NPC1MEN1KMT2AALDH1A1PKM
SCHEMBL15306494 0.72 ALDH1A1 (0.58) NPC1MEN1KMT2AALDH1A1PKM
SCHEMBL6302140 0.72 CNR1 (0.60) MEN1KMT2ACA12CA1CA2

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