SCHEMBL7325586

SCHEMBL7325586

O=C(/C=C/C(=O)On1cnc2c1CCC(C(=O)Nc1ccccc1Oc1ccccc1)C2)On1cnc2c1CCC(C(=O)Nc1ccccc1Oc1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 3/20 0.40
ADRA2C P18825 1/20 0.39
RECQL P46063 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7330529 0.89 KDM4E (0.48) GAAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7331892 0.87 TSHR (0.49) GAAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7335424 0.85 KMT2A (0.42) GAAPKMKDM4EKMT2AMEN1
SCHEMBL7334780 0.85 MEN1 (0.40) KMT2AMEN1SMN1; SMN2L3MBTL1POLB
SCHEMBL7334149 0.85 PTGDR2 (0.44) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7324003 0.83 KDM4E (0.50) GAAKDM4EKMT2ASMN1; SMN2POLB
SCHEMBL7332002 0.77 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1LMNA
Fumaric Acid SCHEMBL7325579 0.74 GAA (0.55) GAAPKMKDM4EKMT2AMEN1
Fumaric Acid SCHEMBL7325589 0.72 GAA (0.55) GAAPKMKDM4EKMT2AMEN1
SCHEMBL7333021 0.72 GPBAR1 (0.34) KMT2AMEN1SMN1; SMN2POLBALDH1A1

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-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed
US-4977175-A GASTROINTESTINAL DISORDERS, ANTIEMETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 US disclosed
EP-0376624-A1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-07-04 EP disclosed