SCHEMBL5714466

SCHEMBL5714466

N#CC(C(=O)O)c1ccc([N+](=O)[O-])c2nonc12.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 16/20 0.47
GSTM2 P28161 16/20 0.47
MYC P01106 3/20 0.44
MAX P61244 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
IDO1 P14902 1/20 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
SCHEMBL5713732 0.99 GSTP1 (0.45) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5714474 0.97 GSTP1 (0.47) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713694 0.89 GSTP1 (0.48) GSTP1GSTM2MYCMAXIDO1
SCHEMBL5714469 0.87 GSTP1 (0.44) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713929 0.87 GSTP1 (0.46) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713701 0.86 GSTP1 (0.48) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713923 0.85 GSTP1 (0.50) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713801 0.84 GSTP1 (0.51) GSTP1GSTM2MEN1KMT2AIDO1
SCHEMBL5714132 0.84 GSTP1 (0.48) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713930 0.83 GSTP1 (0.47) GSTP1GSTM2MYCMAXMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261591-B1 7-NITRO-2,1,3-BENZOXADIAZOLE DERIVATIVES AND 7-NITRO-2,1,3-BENZTHIADIAZOLE DERIVATIVES AND DYES, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE USED FOR DYING KERATIN FIBERS WELLA AG (DE) 2006-03-08 EP claimed
US-6726730-B2 HAIR DYES WHICH ARE READILY SOLUBLE IN WATER AND DISTINGUISHED BY UNIFORM ABSORPTION BEHAVIOR AND HIGH WASHING STABILITY; ENABLE DYEING UNDER GENTLE AND SKIN-COMPATIBLE CONDITIONS WELLA AKTIENGESELLSCHAFT (DE) 2004-04-27 US claimed