SCHEMBL6948231

SCHEMBL6948231

CCOC(=O)c1cccc2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.69
DHODH Q02127 11/20 0.64
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
PIM1 P11309 1/20 0.62
CLK2 P49760 1/20 0.62
MAP4K2 Q12851 1/20 0.62
CAMK2D Q13557 1/20 0.62
DYRK1A Q13627 1/20 0.62
PIM3 Q86V86 1/20 0.62
AURKB Q96GD4 1/20 0.62
PRKD2 Q9BZL6 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
STK17A Q9UEE5 1/20 0.62
MAP4K5 Q9Y4K4 1/20 0.62
PKN1 Q16512 1/20 0.60
PKN2 Q16513 1/20 0.60
CHEK2 O96017 1/20 0.55
PLA2G2A P14555 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL6810422 0.90 PKN1 (0.76) PARP1DHODHPRKD3MAP4K4PIM1
SCHEMBL5970048 0.88 DHODH (0.58) PARP1DHODHPRKD3MAP4K4PIM1
SCHEMBL7480831 0.87 PKN1 (0.67) PARP1DHODHPRKD3MAP4K4PIM1
SCHEMBL7322715 0.85 PKN1 (0.81) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL3580402 0.85 PARP1 (0.69) PARP1DHODHPRKD3MAP4K4PIM1
SCHEMBL3574922 0.83 PARP1 (0.56) PARP1DHODHPRKD3MAP4K4PIM1
SCHEMBL505325 0.83 PKN1 (0.77) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL7475607 0.83 CBFB (0.63) PARP1DHODHPRKD3MAP4K4PIM1
SCHEMBL6170661 0.82 PARP1 (0.64) PARP1DHODHPRKD3MAP4K4PIM1
SCHEMBL5886047 0.82 DHODH (0.64) PARP1DHODHPRKD3MAP4K4PIM1

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