SCHEMBL13359264

SCHEMBL13359264

COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(Cl)nc4)c3s2)cc(C(C)(C)C)cc1N[S+](C)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK14 Q16539 3/20 0.44
▸ KDR P35968 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ KMT2A Q03164 7/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ NPC1 O15118 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
SCHEMBL13359241 0.87 LYN (0.55) LYNMAPK9MAPK14KMT2AMEN1
SCHEMBL3256057 0.87 LYN (0.77) LYNMAPK9MAPK14KDRKDM4E
SCHEMBL13359212 0.85 LYN (0.51) LYNMAPK9MAPK14RAB9AALDH1A1
SCHEMBL3255421 0.82 LYN (0.60) LYNMAPK9MAPK14KDRKDM4E
SCHEMBL3257419 0.80 KDR (0.55) LYNMAPK9KDRKDM4EMAPK1
SCHEMBL13359206 0.79 LYN (0.62) LYNMAPK9MAPK14KDM4EKMT2A
SCHEMBL13359286 0.79 MAPK14 (0.49) LYNMAPK9MAPK14MAPK1RAB9A
SCHEMBL13798003 0.78 LYN (0.78) LYNMAPK9MAPK14
SCHEMBL13359163 0.78 ALDH1A1 (0.42) LYNMAPK9MAPK14KDM4EMAPK1
SCHEMBL13359141 0.78 LYN (0.45) LYNMAPK9MAPK14KDM4ERAB9A

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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