SCHEMBL6950138

SCHEMBL6950138

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
GAA P10253 3/20 0.49
PKM P14618 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
RNASEH1 O60930 2/20 0.42
PNP P00491 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 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
SCHEMBL6946477 0.88 RAB9A (0.50) GAASMN1; SMN2RNASEH1HDAC3HDAC4
SCHEMBL1553897 0.86 GAA (0.54) KMT2AGAAPKMSMN1; SMN2TSHR
SCHEMBL6951808 0.85 GAA (0.53) KMT2AGAAPKMSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL8569715 0.85 GAA (0.53) KMT2AGAAPKMSMN1; SMN2TSHR
SCHEMBL8569705 0.84 GAA (0.51) KMT2AGAAPKMSMN1; SMN2TSHR
SCHEMBL1552358 0.83 RNASEH1 (0.54) KMT2AGAAPKMSMN1; SMN2TSHR
SCHEMBL6946442 0.79 GRIN2B (0.49) GAAPKMSMN1; SMN2TSHRRNASEH1
SCHEMBL8576516 0.78 GAA (0.51) KMT2AGAAPKMSMN1; SMN2TSHR
SCHEMBL6840255 0.77 KDM5B (0.46) KMT2AGAAPKMSMN1; SMN2TSHR
SCHEMBL6948946 0.77 NPC1 (0.46) GAASMN1; SMN2RNASEH1HDAC1HDAC6

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