SCHEMBL11017899

SCHEMBL11017899

COc1cc(S(=O)(=O)N(C)C)ccc1-c1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 6/20 0.50
▸ PDE4A P27815 5/20 0.48
▸ PDE4B Q07343 5/20 0.48
▸ PDE4C Q08493 5/20 0.48
▸ PDE4D Q08499 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.46
▸ NR4A2 P43354 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11017892 0.92 MAPT (0.44) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL11019284 0.91 CHEK2 (0.55) CHEK2
SCHEMBL11018668 0.91 KDM4E (0.48) CHEK2MAPTTDP1TP53HDAC6
SCHEMBL11017842 0.88 CHEK2 (0.52) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL11021542 0.86 CHEK2 (0.50) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL11019277 0.83 CHEK2 (0.46) CHEK2MAPTTDP1TP53NPC1
SCHEMBL11018637 0.83 ALDH1A1 (0.44) MAPTTDP1TP53POLBHDAC6
SCHEMBL20982494 0.82 CHEK2 (0.62) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL11018866 0.82 MAPT (0.44) CHEK2MAPT
SCHEMBL10672480 0.80 MAPT (0.49) MAPTTDP1TP53L3MBTL1

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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