SCHEMBL6946446

SCHEMBL6946446

CCOC(=O)CC(O)c1cc(OC)cc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NTRK1 P04629 3/20 0.39
HSD17B10 Q99714 1/20 0.38
CHEK1 O14757 1/20 0.38
HDAC1 Q13547 2/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
F10 P00742 1/20 0.38
MMP2 P08253 1/20 0.38
NTRK2 Q16620 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
BRS3 P32247 1/20 0.36

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
SCHEMBL6951793 0.88 MAPT (0.38) MAPTHSD17B10CHEK1HDAC1BRD4
Hydrochloric Acid SCHEMBL6949932 0.88 MAPT (0.42) MAPTTDP1L3MBTL1HSD17B10CHEK1
SCHEMBL6951801 0.88 MAPT (0.42) MAPTNTRK1HSD17B10CHEK1HDAC1
SCHEMBL6945277 0.85 CHEK1 (0.48) MAPTNTRK1HSD17B10CHEK1HDAC1
SCHEMBL29828622 0.85 CHEK1 (0.48) MAPTNTRK1HSD17B10CHEK1HDAC1
SCHEMBL6946457 0.85 MAPT (0.41) MAPTTDP1L3MBTL1NTRK1HSD17B10
SCHEMBL6950177 0.81 MAPT (0.43) MAPTTDP1L3MBTL1NTRK1HSD17B10
SCHEMBL6950391 0.78 CHEK1 (0.52) MAPTNTRK1HSD17B10CHEK1BRD4
SCHEMBL6948766 0.78 CHEK1 (0.47) MAPTNTRK1HSD17B10CHEK1HDAC1
SCHEMBL7653156 0.78 ALDH1A1 (0.42) MAPTTDP1NTRK1HSD17B10CHEK1

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