SCHEMBL7653164

SCHEMBL7653164

CCCOC(=O)CC(O)c1cccc2nc(CCc3ccccc3)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.39
TOP2A P11388 2/20 0.38
MMP2 P08253 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
PARP1 P09874 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
HSD17B10 Q99714 1/20 0.35
RNASEH1 O60930 1/20 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) ALDH1A1NPC1RAB9AMAPTMMP2
SCHEMBL7650918 0.88 NPC1 (0.40) NPC1RAB9AMAPTMMP2KDM4E
SCHEMBL6952449 0.88 MMP2 (0.45) ALDH1A1NPC1RAB9AMAPTMMP2
SCHEMBL7656015 0.86 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AMAPTMMP2
SCHEMBL7657259 0.85 NPC1 (0.39) ALDH1A1NPC1RAB9AMAPTMMP2
SCHEMBL7649497 0.85 NPC1 (0.41) NPC1RAB9AMAPTMMP2HDAC6
SCHEMBL6948771 0.84 MAPT (0.43) ALDH1A1MAPTKDM4EHDAC6LMNA
SCHEMBL7653156 0.84 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AMAPTMMP2
SCHEMBL529011 0.84 RAB9A (0.48) ALDH1A1NPC1RAB9AMAPTMMP2
SCHEMBL6950396 0.82 MAPT (0.48) ALDH1A1NPC1RAB9AMAPTMMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed