SCHEMBL6948771

SCHEMBL6948771

CCOC(=O)CC(O)c1cccc2nc(CCc3ccc(O)cc3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
NTRK1 P04629 6/20 0.37
ALDH1A1 P00352 2/20 0.37
NTRK2 Q16620 3/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
F2 P00734 3/20 0.35
F10 P00742 2/20 0.35

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
SCHEMBL6945281 0.92 MAPT (0.47) MAPTHSD17B10KDM4ELMNANTRK1
SCHEMBL6948766 0.84 CHEK1 (0.47) MAPTHSD17B10KDM4ELMNANTRK1
SCHEMBL7653164 0.84 ALDH1A1 (0.42) MAPTHSD17B10KDM4ELMNAALDH1A1
SCHEMBL6950396 0.82 MAPT (0.48) MAPTHSD17B10KDM4ELMNANTRK1
Hydrochloric Acid SCHEMBL6949937 0.82 MAPT (0.42) MAPTHSD17B10KDM4ELMNAALDH1A1
SCHEMBL7650918 0.82 NPC1 (0.40) MAPTKDM4ELMNANTRK1NTRK2
SCHEMBL6953839 0.82 POLB (0.42) MAPTHSD17B10NTRK1ALDH1A1
Hydrochloric Acid SCHEMBL6953896 0.82 MAPT (0.47) MAPTHSD17B10KDM4ELMNANTRK1
SCHEMBL6952449 0.81 MMP2 (0.45) MAPTHSD17B10KDM4ENTRK1ALDH1A1
SCHEMBL6945308 0.80 MAPT (0.45) MAPTHSD17B10KDM4ELMNANTRK1

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