SCHEMBL6953649

SCHEMBL6953649

CCOC(=O)c1ccc(COCc2cccc3[nH]c(CCc4ccccc4)nc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.44
PARP1 P09874 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CHEK1 O14757 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
PTPN1 P18031 1/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HCRTR1 O43613 1/20 0.39

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
SCHEMBL6949856 0.88 SCN1A (0.42) MAPTALDH1A1RAB9ANPC1PARP1
SCHEMBL6953656 0.85 MAPT (0.44) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL6951916 0.80 DHODH (0.43) RAB9ANPC1PARP1HDAC6BRD4
SCHEMBL6949168 0.79 DHODH (0.45) RAB9ANPC1PARP1HDAC6BRD4
Hydrochloric Acid SCHEMBL6953955 0.79 MMP2 (0.45) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL6942886 0.79 PARP1 (0.48) MAPTRAB9ANPC1PARP1SMN1; SMN2
SCHEMBL6953197 0.78 MMP2 (0.44) MAPTALDH1A1RAB9ANPC1PARP1
SCHEMBL6948956 0.78 DHODH (0.54) MAPTLMNAPARP1SMN1; SMN2MEN1
SCHEMBL6953650 0.77 PARP1 (0.44) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL6949863 0.73 SCN1A (0.42) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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