SCHEMBL7014063

SCHEMBL7014063

O=C(NO)Oc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
HSD17B10 Q99714 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KMT2A Q03164 8/20 0.38
KDM4E B2RXH2 1/20 0.36
PKM P14618 2/20 0.36
PTPN1 P18031 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5948362 0.82 MMP1 (0.46) MMP1MMP9MMP12HSD17B10CES2
SCHEMBL2014284 0.82 MMP1 (0.46) MMP1MMP9MMP12HSD17B10CES2
Benzene SCHEMBL9125805 0.81 MMP1 (0.45) MMP1MMP9MMP12HSD17B10CES2
SCHEMBL16196732 0.79 MMP1 (0.53) MMP1MMP9MMP12HSD17B10CES2
SCHEMBL7024452 0.79 MMP1 (0.53) MMP1MMP9MMP12HSD17B10CES2
SCHEMBL28863937 0.78 KMT2A (0.45) MMP1MMP9MMP12HSD17B10KMT2A
SCHEMBL28942302 0.78 MMP1 (0.49) MMP1MMP9MMP12HSD17B10CES2
SCHEMBL5166336 0.77
SCHEMBL1039374 0.77
SCHEMBL28045868 0.77

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-1272198-A1 USE OF ORGANOPHOSPHOROUS COMPOUNDS FOR PRODUCING A MEDICAMENT FOR TREATING INFECTIONS Jomaa Pharmaka GmbH (DE) 2003-01-08 EP disclosed
WO-2001070237-A1 USE OF ORGANOPHOSPHOROUS COMPOUNDS FOR PRODUCING A MEDICAMENT FOR TREATING INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO disclosed