SCHEMBL4743968

SCHEMBL4743968

CCOP(=O)(Nc1cccnc1)OCC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.58
MAPK1 P28482 3/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
FDPS P14324 1/20 0.45
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL16974745 0.82 SMN1; SMN2 (0.52) NPSR1SMN1; SMN2LMNAMAPK1POLB
SCHEMBL25752781 0.79 SMN1; SMN2 (0.59) SMN1; SMN2LMNAMAPK1POLBTSHR
SCHEMBL5366533 0.78 FDPS (0.59) NPSR1SMN1; SMN2LMNAPOLBTSHR
SCHEMBL1893010 0.78 NPSR1 (1.00) NPSR1LMNAPOLBKDM4E
Ammonia Solution, Strong SCHEMBL9173134 0.77 NPSR1 (0.96) NPSR1LMNAPOLBKDM4E
SCHEMBL24052074 0.73 LMNA (0.55) SMN1; SMN2LMNAMAPK1POLBNPC1
SCHEMBL4743946 0.73 FDPS (0.61) SMN1; SMN2LMNAMAPK1POLBNPC1
SCHEMBL1243824 0.72 KCNA5 (0.47) NPC1RAB9AMAPTPKM
SCHEMBL31482560 0.72 KCNA5 (0.47) NPC1RAB9AMAPTPKM
SCHEMBL10885930 0.72 NPSR1 (0.86) NPSR1LMNAMAPK1TSHRMAPT

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
WO-2008113161-A1 PHOSPHATE PRODRUGS OF QUINAZOLINYL NITROFURANS, METHODS OF OBTAINING, AND USE OF SAME ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2008-09-25 WO disclosed