SCHEMBL6165313

SCHEMBL6165313

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(C(=O)NC(Cc3ccc(C(=N)N)cc3)C(=O)O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.58
HDAC6 Q9UBN7 5/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 2/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 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
SCHEMBL6162892 0.89 F2 (0.53) F2HDAC6HDAC1ITGB3ITGA2B
SCHEMBL6160850 0.87 F2 (0.56) F2HDAC1HDAC8
SCHEMBL7251622 0.79 F2 (0.60) F2HDAC6HDAC1
Hydrochloric Acid SCHEMBL7249776 0.79 F2 (0.62) F2HDAC6HDAC1HDAC8
Hydrochloric Acid SCHEMBL7246548 0.79 F2 (0.59) F2HDAC6HDAC1
SCHEMBL9252732 0.78 HDAC1 (0.46) HDAC6HDAC1HDAC8ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6476029 0.78 F2 (0.53) F2HDAC6
Hydrochloric Acid SCHEMBL7248124 0.78 F2 (0.62) F2HDAC6
SCHEMBL9250758 0.77 HDAC6 (0.52) F2HDAC6HDAC1HDAC8ITGB3
Hydrochloric Acid SCHEMBL6161320 0.77 F2 (0.53) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed