SCHEMBL5713923

SCHEMBL5713923

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 17/20 0.50
GSTM2 P28161 17/20 0.50
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39

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
SCHEMBL5714132 0.99 GSTP1 (0.48) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL5713930 0.98 GSTP1 (0.47) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL5714466 0.85 GSTP1 (0.47) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL5713694 0.84 GSTP1 (0.48) GSTP1GSTM2IDO1MYCMAX
SCHEMBL5713732 0.84 GSTP1 (0.45) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL5713695 0.84 TXNRD1 (0.37) GSTP1GSTM2
SCHEMBL5714469 0.83 GSTP1 (0.44) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL5714474 0.83 GSTP1 (0.47) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL5713929 0.83 GSTP1 (0.46) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL5713801 0.83 GSTP1 (0.51) GSTP1GSTM2IDO1MEN1KMT2A

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