SCHEMBL6950396

SCHEMBL6950396

CCOC(=O)CC(N)c1cccc2nc(CCc3ccccc3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.45
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
F10 P00742 1/20 0.41
NTRK1 P04629 2/20 0.39
MMP2 P08253 1/20 0.39
F2 P00734 1/20 0.39
NTRK2 Q16620 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 1/20 0.38
CACNA1G O43497 1/20 0.37

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
Hydrochloric Acid SCHEMBL6953896 0.99 MAPT (0.47) MAPTHSD17B10RAB9ANPC1ALDH1A1
SCHEMBL6945281 0.91 MAPT (0.47) MAPTHSD17B10RAB9ANPC1ALDH1A1
SCHEMBL6954321 0.87 MAPT (0.44) MAPTHSD17B10RAB9ANPC1ALDH1A1
SCHEMBL6952293 0.86 MAPT (0.43) MAPTHSD17B10RAB9ANPC1ALDH1A1
SCHEMBL6945580 0.85 MAPT (0.45) MAPTHSD17B10RAB9ANPC1ALDH1A1
SCHEMBL6950391 0.83 CHEK1 (0.52) MAPTHSD17B10RAB9ANPC1ALDH1A1
SCHEMBL6953839 0.83 POLB (0.42) MAPTHSD17B10RAB9ANPC1ALDH1A1
SCHEMBL7653164 0.82 ALDH1A1 (0.42) MAPTHSD17B10RAB9ANPC1ALDH1A1
SCHEMBL6948771 0.82 MAPT (0.43) MAPTHSD17B10ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL6953693 0.82 MAPT (0.43) MAPTHSD17B10RAB9ANPC1ALDH1A1

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