SCHEMBL13359211

SCHEMBL13359211

COc1c(NC(=O)c2cc3c(Cl)ccc([N+](=O)[O-])c3s2)cc(C(C)(C)C)cc1N[S+](C)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.40
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ USP7 Q93009 2/20 0.35
▸ USP47 Q96K76 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL13359156 0.87 MAPK14 (0.44) MAPK14MEN1KMT2ALMNARAB9A
SCHEMBL13797948 0.86 MAPK14 (0.56) MAPK14MEN1KMT2ALMNANPC1
SCHEMBL13359286 0.84 MAPK14 (0.49) MAPK14MEN1KMT2ALMNANPC1
SCHEMBL13359163 0.80 ALDH1A1 (0.42) MAPK14MEN1KMT2ALMNANPC1
SCHEMBL3252599 0.74 TDP1 (0.43) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL13359141 0.74 LYN (0.45) MAPK14MEN1KMT2ALMNANPC1
SCHEMBL13797998 0.73 MAPK14 (0.61) MAPK14LYNMAPK9
SCHEMBL13359224 0.72 MAPK14 (0.62) MAPK14LYNMAPK9
SCHEMBL13798001 0.72 MAPK14 (0.60) MAPK14LYNMAPK9
SCHEMBL13359264 0.71 LYN (0.59) MAPK14MEN1KMT2ALMNANPC1

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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