SCHEMBL6948273

SCHEMBL6948273

CCOC(=O)CC(=O)c1cccc2[nH]c(CCc3ccc(OCc4ccccc4)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.51
PRMT5 O14744 3/20 0.46
NR1H4 Q96RI1 1/20 0.44
HDAC3 O15379 2/20 0.44
PARP1 P09874 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CHEK1 O14757 1/20 0.43
MAPT P10636 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 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
SCHEMBL6949839 0.92 CHEK1 (0.50) HDAC3PARP1HDAC4HDAC1HDAC7
SCHEMBL6948956 0.89 DHODH (0.54) DHODHPRMT5NR1H4HDAC3PARP1
SCHEMBL6945300 0.88 CHEK1 (0.48) HDAC3PARP1HDAC4HDAC1HDAC7
SCHEMBL6948278 0.85 PRMT5 (0.45) DHODHPRMT5NR1H4MAPTGABRA1
SCHEMBL6950091 0.84 DHODH (0.69) DHODHHDAC3PARP1HDAC4HDAC1
SCHEMBL6948942 0.82 BRD4 (0.50) DHODHPARP1HDAC6MAPTALDH1A1
SCHEMBL6946502 0.81 MAPT (0.44) DHODHHDAC1HDAC6CHEK1MAPT
SCHEMBL6950177 0.79 MAPT (0.43) HDAC1HDAC6CHEK1MAPTL3MBTL1
SCHEMBL6942886 0.79 PARP1 (0.48) PARP1CHEK1MAPTBRD4CREBBP
SCHEMBL6946441 0.79 PARP1 (0.48) DHODHPARP1HDAC6BRD4CREBBP

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