SCHEMBL13359141

SCHEMBL13359141

COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3s2)cc(C(C)(C)C)cc1N[S+](C)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK14 Q16539 2/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MITF O75030 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL13797966 0.88 MAPK14 (0.60) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13359286 0.85 MAPK14 (0.49) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13359241 0.80 LYN (0.55) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13359212 0.79 LYN (0.51) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13359264 0.78 LYN (0.59) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13359211 0.74 MAPK14 (0.40) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13797936 0.72 MAPK14 (0.68) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13359288 0.71 MAPK14 (0.65) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13797996 0.71 MAPK14 (0.69) LYNMAPK9MAPK14
SCHEMBL13797943 0.70 MAPK14 (0.72) LYNMAPK9MAPK14

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
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
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