SCHEMBL6945300

SCHEMBL6945300

CCOC(=O)CC(=O)c1cccc2[nH]c(CCc3ccc(O)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.41
NTRK1 P04629 6/20 0.41
NTRK2 Q16620 3/20 0.40
MIF P14174 1/20 0.40
PARP1 P09874 4/20 0.39
RIPK1 Q13546 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL6949839 0.92 CHEK1 (0.50) CHEK1MAPTHSD17B10NTRK1NTRK2
SCHEMBL6948273 0.88 DHODH (0.51) CHEK1MAPTPARP1HDAC3HDAC4
SCHEMBL6945308 0.83 MAPT (0.45) MAPTHSD17B10NTRK1NTRK2MIF
SCHEMBL6946502 0.82 MAPT (0.44) CHEK1MAPTHSD17B10NTRK1MIF
SCHEMBL6948942 0.81 BRD4 (0.50) MAPTHSD17B10NTRK1NTRK2PARP1
SCHEMBL6948766 0.80 CHEK1 (0.47) CHEK1MAPTHSD17B10NTRK1NTRK2
SCHEMBL6942886 0.78 PARP1 (0.48) CHEK1MAPTHSD17B10PARP1RIPK1
SCHEMBL6946441 0.78 PARP1 (0.48) NTRK1NTRK2PARP1HDAC6BRD4
SCHEMBL6947548 0.78 MAPT (0.43) CHEK1MAPTHSD17B10NTRK1NTRK2
SCHEMBL6950177 0.77 MAPT (0.43) CHEK1MAPTHSD17B10NTRK1NTRK2

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