SCHEMBL6945348

SCHEMBL6945348

CC(C)(C)[Si](C)(C)Oc1cc(C(=O)O)c2nc(CCc3ccccc3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.42
HDAC6 Q9UBN7 1/20 0.40
RNASEH1 O60930 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
BRS3 P32247 3/20 0.38

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
SCHEMBL6947173 0.86 MAPT (0.39) DHODHHDAC6NPC1RAB9ABRD4
SCHEMBL6951783 0.85 DHODH (0.47) DHODHHDAC6RNASEH1NPC1RAB9A
SCHEMBL6952472 0.80 HDAC1 (0.40) HDAC6RAB9A
SCHEMBL6951793 0.79 MAPT (0.38) HDAC6NPC1RAB9ABRD4CREBBP
SCHEMBL6950048 0.77 RNASEH1 (0.50) DHODHHDAC6RNASEH1NPC1RAB9A
SCHEMBL6948937 0.76 DHODH (0.58) DHODHHDAC6RNASEH1NPC1RAB9A
SCHEMBL6948954 0.73 NPC1 (0.55) DHODHHDAC6RNASEH1NPC1RAB9A
SCHEMBL6950177 0.71 MAPT (0.43) HDAC6NPC1RAB9ABRD4CREBBP
SCHEMBL6950091 0.69 DHODH (0.69) DHODHHDAC6BRS3
SCHEMBL6945364 0.69 RAB9A (0.52) DHODHHDAC6RNASEH1NPC1RAB9A

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