SCHEMBL11017633

SCHEMBL11017633

CCCNS(=O)(=O)c1ccc(-c2nc3cc(C#N)ccc3[nH]2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ PKM P14618 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SCN9A Q15858 8/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL11017639 0.93 MAPT (0.49) ALDH1A1MAPTPKMUSP2POLB
SCHEMBL11018071 0.88 CYP2C9 (0.47) SCN9AMAPK10CA12CA1CA2
SCHEMBL11016112 0.88 SCN9A (0.42) ALDH1A1MAPTLMNAHTTSCN9A
SCHEMBL10763275 0.86 MAPK10 (0.42) MAPK10CA12CA1CA2CA9
SCHEMBL11021893 0.84 ATR (0.44) SCN9AMAPK10CA12CA1CA2
SCHEMBL11020313 0.83 CA2 (0.54) ALDH1A1SCN9AHPGDMAPK10CA12
SCHEMBL11021552 0.83 L3MBTL1 (0.47) ALDH1A1MAPTUSP2POLBPDE4A
SCHEMBL11018857 0.82 MAPT (0.44) ALDH1A1MAPTPOLBLMNASCN9A
SCHEMBL11021236 0.81 KDM4E (0.42) ALDH1A1MAPTPKMUSP2POLB
SCHEMBL11018077 0.80 CYP2C9 (0.54) —

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-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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