SCHEMBL7715293

SCHEMBL7715293

O=C(Nc1[c]cccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.62
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.46
MAPT P10636 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
SCHEMBL7644336 0.87 MEN1 (0.57) MEN1KMT2AALDH1A1MAPT
SCHEMBL10904297 0.77 ALOX5 (1.00) ALOX5MEN1KMT2APKMMAPT
SCHEMBL429187 0.76 PTPN1 (0.48) MEN1KMT2APKMMAPT
SCHEMBL8334964 0.75 ALOX5 (0.70) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL7715295 0.75 ALOX5 (0.72) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL7875424 0.74 ALOX5 (0.68) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL9167111 0.73 ALOX5 (0.75) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL6864203 0.72 ALOX5 (0.67) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL28328243 0.72 MEN1 (0.70) ALOX5MEN1KMT2AALDH1A1
SCHEMBL8838121 0.72 MGLL (0.47) MEN1KMT2AALDH1A1PKMMAPT

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
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed