SCHEMBL21068026

SCHEMBL21068026

C[S+]([O-])c1ccc(-c2nc(-c3ccncc3)c(-c3cccc(I)c3)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.58
MAPK14 Q16539 19/20 0.56
MAPK13 O15264 15/20 0.56
MAPK12 P53778 15/20 0.56
MAPK11 Q15759 15/20 0.56
RAF1 P04049 8/20 0.56
MAPK9 P45984 1/20 0.55
GCGR P47871 6/20 0.52
BRAF P15056 2/20 0.52
CSNK1D P48730 1/20 0.52
CSNK1E P49674 1/20 0.52
BRDT Q58F21 1/20 0.50

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
SCHEMBL155371 0.97 ALOX5 (0.62) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL21574554 0.97 ALOX5 (0.62) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6447875 0.88 MAPK13 (0.72) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL15606600 0.85 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4565197 0.84 MAPK14 (0.72) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL4552055 0.83 MAPK14 (0.76) ALOX5MAPK14MAPK13MAPK12MAPK11
Sb-203580 SCHEMBL95208 0.82 MAPK11 (0.75) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6469541 0.82 MAPK14 (0.76) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6469294 0.82 MAPK13 (0.76) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6467812 0.82 MAPK14 (0.76) ALOX5MAPK14MAPK13MAPK12MAPK11

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed