SCHEMBL6945308

SCHEMBL6945308

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.41
NTRK1 P04629 11/20 0.41
NTRK2 Q16620 7/20 0.40
MIF P14174 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL6949850 0.92 MAPT (0.49) MAPTHSD17B10NTRK1NTRK2KDM4E
SCHEMBL6948278 0.88 PRMT5 (0.45) MAPTHSD17B10KDM4ELMNAALDH1A1
SCHEMBL6945300 0.83 CHEK1 (0.48) MAPTHSD17B10NTRK1NTRK2MIF
SCHEMBL6946513 0.82 MAPT (0.44) MAPTHSD17B10NTRK1NTRK2MIF
SCHEMBL6948946 0.81 NPC1 (0.46) MAPTHSD17B10NTRK1NTRK2KDM4E
SCHEMBL6948771 0.80 MAPT (0.43) MAPTHSD17B10NTRK1NTRK2KDM4E
SCHEMBL6942891 0.78 MAPT (0.47) MAPTHSD17B10NTRK1KDM4ELMNA
SCHEMBL6946452 0.78 NPC1 (0.42) MAPTNTRK1NTRK2KDM4EHDAC3
SCHEMBL6947556 0.78 TUBB4A (0.43) MAPTHSD17B10NTRK1NTRK2HDAC1
SCHEMBL6950181 0.77 MAPT (0.43) MAPTHSD17B10NTRK1NTRK2HDAC1

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