SCHEMBL6948426

SCHEMBL6948426

CN(C)C(=O)CC(=O)c1cccc2nc(CCc3ccccc3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HDAC6 Q9UBN7 2/20 0.42
NTRK1 P04629 7/20 0.41
GAA P10253 1/20 0.41
NTRK2 Q16620 4/20 0.40
RNASEH1 O60930 1/20 0.39
HDAC1 Q13547 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 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
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL6946477 0.87 RAB9A (0.50) NPC1RAB9AHDAC6NTRK1GAA
SCHEMBL6948946 0.85 NPC1 (0.46) NPC1RAB9AHDAC6NTRK1GAA
SCHEMBL6949850 0.84 MAPT (0.49) NPC1RAB9AHDAC6NTRK1GAA
SCHEMBL6948419 0.82 PARP1 (0.45) NPC1RAB9AHDAC6NTRK1GAA
SCHEMBL6945368 0.82 RAB9A (0.52) NPC1RAB9AHDAC6NTRK1GAA
SCHEMBL6948961 0.81 RAB9A (0.55) NPC1RAB9AHDAC6GAARNASEH1
SCHEMBL6946452 0.81 NPC1 (0.42) NPC1RAB9AHDAC6NTRK1GAA
SCHEMBL6942891 0.79 MAPT (0.47) NPC1RAB9ANTRK1ALDH1A1LMNA
SCHEMBL6943116 0.79 RAB9A (0.47) NPC1RAB9AHDAC6NTRK1GAA
SCHEMBL6948278 0.77 PRMT5 (0.45) ALDH1A1LMNA

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