SCHEMBL7246014

SCHEMBL7246014

Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)NCCCc3ccccc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC8 Q9BY41 2/20 0.50
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NAMPT P43490 1/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GAA P10253 1/20 0.47
F2 P00734 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL8029864 0.91 ALDH1A1 (0.49) HDAC1HDAC6ALDH1A1HSD17B10NAMPT
SCHEMBL7244362 0.89 HDAC6 (0.54) HDAC1HDAC6ALDH1A1HSD17B10TP53
SCHEMBL7249259 0.89 EPHX2 (0.48) HDAC1HDAC6ALDH1A1HSD17B10TP53
Hydrochloric Acid SCHEMBL7249776 0.85 F2 (0.62) HDAC1HDAC6HDAC8ALDH1A1HSD17B10
SCHEMBL6486632 0.83 F2 (0.50) HDAC1HDAC6HDAC8ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL7244675 0.82 F2 (0.49) HDAC1HDAC6HDAC8ALDH1A1HSD17B10
SCHEMBL8015782 0.82 RORC (0.58) HDAC1HDAC6TP53
SCHEMBL7245070 0.82 F2 (0.53) HDAC1HDAC6HDAC8NPC1F2
SCHEMBL6165145 0.81 CA1 (0.47) HDAC1HDAC6HDAC8
SCHEMBL6475543 0.81 KDM4E (0.48) HDAC1HDAC6HDAC8MAPTNPC1

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
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed