SCHEMBL11019277

SCHEMBL11019277

COc1cc(S(=O)(=O)N(C)C)ccc1-c1nc2cc(C(N)=O)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 13/20 0.46
▸ MAPT P10636 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL11019284 0.92 CHEK2 (0.55) CHEK2
SCHEMBL11017892 0.91 MAPT (0.44) CHEK2MAPTKDM4ENPC1ALDH1A1
SCHEMBL11018637 0.90 ALDH1A1 (0.44) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL11020402 0.89 CHEK2 (0.47) CHEK2KDM4EALDH1A1
SCHEMBL11018192 0.88 MAPT (0.48) CHEK2MAPTKDM4EALDH1A1RAB9A
SCHEMBL11018864 0.86 CHEK2 (0.48) CHEK2
SCHEMBL11017899 0.83 CHEK2 (0.50) CHEK2MAPTNPC1RAB9ATP53
SCHEMBL11018668 0.82 KDM4E (0.48) CHEK2MAPTKDM4ENPC1ALDH1A1
SCHEMBL10748970 0.81 CHEK2 (0.51) CHEK2
SCHEMBL11018857 0.81 MAPT (0.44) MAPTKDM4EALDH1A1LMNATP53

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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