SCHEMBL9302460

SCHEMBL9302460

NC(=O)c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
CYP11B1 P15538 5/20 0.65
CYP11B2 P19099 5/20 0.65
TNF P01375 1/20 0.65
HTT P42858 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 3/20 0.62
IDO1 P14902 4/20 0.55
HRH3 Q9Y5N1 4/20 0.55
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL1750364 0.87 HDAC1 (0.73) HDAC1HDAC6CYP11B1CYP11B2TNF
SCHEMBL3497641 0.86 CYP11B1 (0.65) HDAC1HDAC6CYP11B1CYP11B2TNF
SCHEMBL13907295 0.84 CYP11B1 (0.89) HDAC1HDAC6CYP11B1CYP11B2TNF
Potassium Ion SCHEMBL9302514 0.84 HDAC1 (0.70) HDAC1HDAC6CYP11B1CYP11B2TNF
SCHEMBL12850040 0.83 HDAC6 (1.00) HDAC1HDAC6CYP11B1CYP11B2TNF
SCHEMBL9694201 0.82 HDAC6 (0.50) HDAC1HDAC6CYP11B1CYP11B2TNF
SCHEMBL3497107 0.82 HDAC1 (0.70) HDAC1HDAC6CYP11B1CYP11B2TNF
SCHEMBL9672600 0.82 CA12 (0.51) HDAC1HDAC6CYP11B1CYP11B2TNF
SCHEMBL7672864 0.80 CYP11B1 (0.75) HDAC1HDAC6CYP11B1CYP11B2TNF
SCHEMBL2022520 0.80 CYP11B1 (0.75) HDAC1HDAC6CYP11B1CYP11B2TNF

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO disclosed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed