SCHEMBL6951808

SCHEMBL6951808

CC(=O)c1cccc2nc(Cc3ccccc3)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
KMT2A Q03164 1/20 0.52
PKM P14618 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.46
EGFR P00533 1/20 0.46
RNASEH1 O60930 2/20 0.45
PNP P00491 1/20 0.44
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL1553897 0.90 GAA (0.54) GAAKMT2APKMSMN1; SMN2TSHR
SCHEMBL6945368 0.89 RAB9A (0.52) GAASMN1; SMN2EGFRRNASEH1KDM5A
Hydrochloric Acid SCHEMBL8569715 0.89 GAA (0.53) GAAKMT2APKMSMN1; SMN2TSHR
SCHEMBL8569705 0.87 GAA (0.51) GAAKMT2APKMSMN1; SMN2TSHR
SCHEMBL1552358 0.87 RNASEH1 (0.54) GAAKMT2APKMSMN1; SMN2TSHR
SCHEMBL6950138 0.85 KMT2A (0.49) GAAKMT2APKMSMN1; SMN2TSHR
SCHEMBL6840255 0.81 KDM5B (0.46) GAAKMT2APKMSMN1; SMN2TSHR
SCHEMBL6542837 0.80 GAA (0.60) GAAKMT2APKMSMN1; SMN2TSHR
SCHEMBL6840239 0.80 KDM4C (0.54) GAAKMT2APKMSMN1; SMN2KDM4A
SCHEMBL9540475 0.79 GAA (0.58) GAAKMT2APKMTSHREGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed