SCHEMBL18896994

SCHEMBL18896994

COC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 17/20 0.80
GSTM2 P28161 17/20 0.80
IDO1 P14902 2/20 0.68
MEN1 O00255 1/20 0.55
KMT2A Q03164 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
SCHEMBL18895759 0.87 GSTP1 (0.80) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL18878879 0.83 IDO1 (0.74) GSTP1GSTM2IDO1
SCHEMBL18896958 0.82 IDO1 (0.76) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL297920 0.81 IDO1 (1.00) GSTP1GSTM2IDO1
SCHEMBL6049433 0.81 IDO1 (0.76) GSTP1GSTM2IDO1
SCHEMBL6833698 0.80 IDO1 (0.78) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL6831349 0.79 IDO1 (0.76) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL297980 0.79 IDO1 (1.00) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL6831327 0.79 IDO1 (0.76) GSTP1GSTM2IDO1MEN1KMT2A
SCHEMBL18895758 0.79 IDO1 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9664696-B1 Compounds for determining the presence of hydrogen sulfide and methods of use UNIVERSITY OF OREGON (US) 2017-05-30 US disclosed