SCHEMBL6946452

SCHEMBL6946452

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HDAC6 Q9UBN7 2/20 0.40
NTRK1 P04629 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MMP2 P08253 1/20 0.39
GAA P10253 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NTRK2 Q16620 2/20 0.38
BRS3 P32247 1/20 0.38
BCHE P06276 1/20 0.38
HDAC1 Q13547 2/20 0.37
RNASEH1 O60930 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL6948946 0.89 NPC1 (0.46) NPC1RAB9AHDAC6NTRK1MMP2
SCHEMBL6949850 0.86 MAPT (0.49) NPC1RAB9AHDAC6NTRK1MMP2
SCHEMBL6946477 0.84 RAB9A (0.50) NPC1RAB9AHDAC6NTRK1GAA
SCHEMBL6946441 0.83 PARP1 (0.48) NPC1RAB9AHDAC6NTRK1CYP1A2
SCHEMBL6948426 0.81 NPC1 (0.45) NPC1RAB9AHDAC6NTRK1MMP2
SCHEMBL7649497 0.79 NPC1 (0.41) NPC1RAB9AHDAC6NTRK1CYP1A2
SCHEMBL6945368 0.79 RAB9A (0.52) NPC1RAB9AHDAC6NTRK1GAA
SCHEMBL6948961 0.79 RAB9A (0.55) NPC1RAB9AHDAC6GAABRS3
SCHEMBL6948278 0.79 PRMT5 (0.45) KDM4EMAPT
SCHEMBL6945308 0.78 MAPT (0.45) NPC1RAB9AHDAC6NTRK1NTRK2

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