SCHEMBL6946477

SCHEMBL6946477

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
HDAC6 Q9UBN7 2/20 0.46
GAA P10253 1/20 0.44
CHRM1 P11229 1/20 0.44
RNASEH1 O60930 1/20 0.43
HDAC1 Q13547 2/20 0.42
NTRK1 P04629 5/20 0.42
NTRK2 Q16620 4/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL6950138 0.88 KMT2A (0.49) HDAC6GAARNASEH1HDAC1HDAC3
SCHEMBL6948946 0.88 NPC1 (0.46) RAB9ANPC1HDAC6GAARNASEH1
SCHEMBL6948426 0.87 NPC1 (0.45) RAB9ANPC1HDAC6GAARNASEH1
SCHEMBL6948961 0.87 RAB9A (0.55) RAB9ANPC1HDAC6GAACHRM1
SCHEMBL6949850 0.85 MAPT (0.49) RAB9ANPC1HDAC6GAAHDAC1
SCHEMBL6945368 0.84 RAB9A (0.52) RAB9ANPC1HDAC6GAACHRM1
SCHEMBL6946452 0.84 NPC1 (0.42) RAB9ANPC1HDAC6GAARNASEH1
SCHEMBL6943116 0.84 RAB9A (0.47) RAB9ANPC1HDAC6GAACHRM1
SCHEMBL6946473 0.80 NPC1 (0.50) RAB9ANPC1HDAC6GAACHRM1
SCHEMBL6942891 0.79 MAPT (0.47) RAB9ANPC1NTRK1ALDH1A1MAPT

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