SCHEMBL6946473

SCHEMBL6946473

O=C(O)CC(=O)c1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PARP1 P09874 3/20 0.47
HDAC6 Q9UBN7 2/20 0.46
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 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 2/20 0.42
NTRK2 Q16620 1/20 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

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
SCHEMBL6946442 0.88 GRIN2B (0.49) PARP1BRD4CREBBPGAARNASEH1
SCHEMBL6948942 0.88 BRD4 (0.50) NPC1RAB9APARP1HDAC6BRD4
SCHEMBL6948419 0.87 PARP1 (0.45) NPC1RAB9APARP1HDAC6BRD4
SCHEMBL6948954 0.87 NPC1 (0.55) NPC1RAB9APARP1HDAC6RNASEH1
SCHEMBL6949839 0.85 CHEK1 (0.50) NPC1RAB9APARP1HDAC6BRD4
SCHEMBL6945364 0.84 RAB9A (0.52) NPC1RAB9APARP1HDAC6BRD4
SCHEMBL29412049 0.84 PARP1 (0.60) NPC1RAB9APARP1DHODH
SCHEMBL6946441 0.84 PARP1 (0.48) NPC1RAB9APARP1HDAC6BRD4
SCHEMBL6943109 0.84 RAB9A (0.47) NPC1RAB9APARP1HDAC6BRD4
SCHEMBL6946477 0.80 RAB9A (0.50) NPC1RAB9APARP1HDAC6GAA

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