SCHEMBL11124580

SCHEMBL11124580

O=[C]CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 2/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
GLA P06280 1/20 0.51
PTPRF P10586 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
IDO1 P14902 1/20 0.47
ACHE P22303 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL9823345 0.83 MAPT (1.00) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2
SCHEMBL5516694 0.83 MAPT (0.69) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2
SCHEMBL10614889 0.81 MAPT (0.58) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2
SCHEMBL570831 0.80 MAPT (1.00) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2
SCHEMBL6251043 0.80 MAPT (0.66) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2
SCHEMBL4955548 0.79 MAPT (0.70) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2
SCHEMBL9003269 0.79 MAPT (0.70) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2
SCHEMBL11118915 0.79 SMN1; SMN2 (0.55) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL1405413 0.78 MAPT (0.96) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2
Bromide SCHEMBL28010281 0.78 MAPT (0.96) MAPTALDH1A1HSD17B10RECQLSMN1; SMN2

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
EP-0030846-B1 PHARMACOLOGICALLY ACTIVE PEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1984-05-09 EP disclosed
EP-0030846-A2 Pharmacologically active peptides, their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1981-06-24 EP disclosed
US-4251439-A ENKEPHALIN ANALOGS AS ANALGESICS ELI LILLY AND COMPANY (US) 1981-02-17 US disclosed