SCHEMBL6465464

SCHEMBL6465464

O=C(NS)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.79
KMT2A Q03164 7/20 0.79
NPC1 O15118 5/20 0.65
RAB9A P51151 4/20 0.65
MAPT P10636 3/20 0.65
MAPK1 P28482 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
MYOC Q99972 1/20 0.65
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
PTGES O14684 1/20 0.58
TGM2 P21980 1/20 0.57
EPHX1 P07099 1/20 0.56
POLB P06746 2/20 0.56
NAMPT P43490 1/20 0.56
MITF O75030 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55

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
SCHEMBL6302157 0.88 MEN1 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1177730 0.88 MEN1 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6302417 0.83 MEN1 (0.89) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16005844 0.83 MEN1 (0.81) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9285911 0.81 KMT2A (0.79) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9285904 0.81 MEN1 (0.79) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11055960 0.81 MEN1 (0.85) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7142294 0.81 MEN1 (0.79) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8848976 0.81 KMT2A (0.71) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1311708 0.80 MEN1 (0.82) MEN1KMT2ANPC1RAB9AMAPT

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
EP-1148048-B1 Polyaromatic compounds for treating herpes viral infections PHARMACIA & UPJOHN CO LLC (US) 2005-06-29 EP claimed