SCHEMBL13359212

SCHEMBL13359212

COc1c(NC(=O)c2cc3cccc(NC(=O)c4cnccn4)c3s2)cc(C(C)(C)C)cc1N[S+](C)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK14 Q16539 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL13797944 0.87 LYN (0.67) LYNMAPK9MAPK14SMN1; SMN2MEN1
SCHEMBL13359241 0.86 LYN (0.55) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13359264 0.85 LYN (0.59) LYNMAPK9MAPK14SMN1; SMN2MEN1
SCHEMBL13359286 0.80 MAPK14 (0.49) LYNMAPK9MAPK14SMN1; SMN2MEN1
SCHEMBL13359141 0.79 LYN (0.45) LYNMAPK9MAPK14MEN1KMT2A
SCHEMBL13797949 0.78 MAPK14 (0.68) LYNMAPK9MAPK14GRM4
SCHEMBL13359163 0.77 ALDH1A1 (0.42) LYNMAPK9MAPK14SMN1; SMN2MEN1
SCHEMBL3257628 0.75 LYN (0.72) LYNMAPK9MAPK14SMN1; SMN2KMT2A
SCHEMBL13797939 0.73 LYN (0.66) LYNMAPK9MAPK14
SCHEMBL13797953 0.73 LYN (0.71) 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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