SCHEMBL5817153

SCHEMBL5817153

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

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.74
TGM2 P21980 1/20 0.62
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
MAPT P10636 2/20 0.61
MAPK1 P28482 2/20 0.61
POLB P06746 2/20 0.61
GAA P10253 2/20 0.61
NAMPT P43490 1/20 0.61
MITF O75030 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MYOC Q99972 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
ALDH1A1 P00352 4/20 0.58
RECQL P46063 1/20 0.55
HSD17B10 Q99714 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
SCHEMBL1177730 0.85 MEN1 (1.00) KMT2AMEN1TGM2NPC1RAB9A
SCHEMBL6302157 0.85 MEN1 (1.00) KMT2AMEN1TGM2NPC1RAB9A
SCHEMBL152811 0.83 KMT2A (0.74) KMT2AMEN1TGM2NPC1RAB9A
SCHEMBL477790 0.82 KMT2A (0.71) KMT2AMEN1TGM2NPC1RAB9A
SCHEMBL1102071 0.82 KMT2A (0.71) KMT2AMEN1TGM2NPC1RAB9A
SCHEMBL6631700 0.82 KMT2A (0.71) KMT2AMEN1TGM2NPC1RAB9A
SCHEMBL8848976 0.82 KMT2A (0.71) KMT2AMEN1TGM2NPC1RAB9A
SCHEMBL642700 0.82 KMT2A (0.81) KMT2AMEN1NPC1MAPTMAPK1
SCHEMBL4588400 0.82 KMT2A (0.71) KMT2AMEN1TGM2NPC1RAB9A
SCHEMBL9018657 0.82 MEN1 (0.71) KMT2AMEN1TGM2NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006138589-A2 OPIOID RECEPTOR LIGANDS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2006-12-28 WO claimed
EP-0239528-A1 13-Beta-carbamoyloxy-milbemicyne derivatives for fighting harmful animal and plant parasites CIBA-GEIGY AG (CH) 1987-09-30 EP disclosed
US-4191574-A AZO-METHINE DYES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-03-04 US disclosed
US-4138264-A Silver halide emulsion containing two equivalent type coupler for use in photography KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-02-06 US disclosed