SCHEMBL6945368

SCHEMBL6945368

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
HDAC6 Q9UBN7 1/20 0.45
RNASEH1 O60930 1/20 0.45
NTRK1 P04629 2/20 0.44
GAA P10253 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43

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
SCHEMBL6951808 0.89 GAA (0.53) RNASEH1GAAMAPTSMN1; SMN2KDM5A
SCHEMBL6948961 0.89 RAB9A (0.55) RAB9ANPC1HDAC6RNASEH1GAA
SCHEMBL6946477 0.84 RAB9A (0.50) RAB9ANPC1HDAC6RNASEH1NTRK1
SCHEMBL6942891 0.84 MAPT (0.47) RAB9ANPC1NTRK1ALDH1A1MAPT
SCHEMBL6948946 0.83 NPC1 (0.46) RAB9ANPC1HDAC6RNASEH1NTRK1
SCHEMBL6948426 0.82 NPC1 (0.45) RAB9ANPC1HDAC6RNASEH1NTRK1
SCHEMBL6943116 0.81 RAB9A (0.47) RAB9ANPC1HDAC6RNASEH1NTRK1
SCHEMBL6949850 0.80 MAPT (0.49) RAB9ANPC1HDAC6NTRK1GAA
SCHEMBL6374934 0.80 DAGLA (0.44) RAB9ANPC1HDAC6GAACHRM1
SCHEMBL6946452 0.79 NPC1 (0.42) RAB9ANPC1HDAC6RNASEH1NTRK1

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