SCHEMBL6945574

SCHEMBL6945574

CCOC(=O)C(O)c1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MMP2 P08253 1/20 0.40
NTRK1 P04629 3/20 0.40
NTRK2 Q16620 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTR6 P50406 1/20 0.39
RNASEH1 O60930 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 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
SCHEMBL6945277 0.86 CHEK1 (0.48) CHEK1MAPTNPC1RAB9ABRD4
SCHEMBL29828622 0.86 CHEK1 (0.48) CHEK1MAPTNPC1RAB9ABRD4
SCHEMBL6943101 0.86 RAB9A (0.50) MAPTNPC1RAB9ABRD4CREBBP
SCHEMBL6950391 0.85 CHEK1 (0.52) CHEK1MAPTNPC1RAB9ABRD4
Hydrochloric Acid SCHEMBL6953890 0.84 CHEK1 (0.51) CHEK1MAPTNPC1RAB9ABRD4
SCHEMBL6945580 0.82 MAPT (0.45) MAPTNPC1RAB9AHSD17B10MMP2
SCHEMBL6950164 0.81 TP53 (0.47) RAB9AMMP2ALDH1A1KMT2A
SCHEMBL6943129 0.81 TP53 (0.47) RAB9AMMP2ALDH1A1KMT2A
SCHEMBL6954316 0.81 CHEK1 (0.45) CHEK1MAPTNPC1RAB9ABRD4
SCHEMBL6949858 0.81 CHEK1 (0.41) CHEK1MAPTNPC1RAB9ABRD4

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