SCHEMBL14439746

SCHEMBL14439746

Nc1ccncc1NC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.68
KDM4C Q9H3R0 1/20 0.68
HDAC1 Q13547 12/20 0.66
HDAC2 Q92769 8/20 0.66
HDAC3 O15379 7/20 0.66
MAPK1 P28482 1/20 0.65
JAK2 O60674 1/20 0.56
TYK2 P29597 1/20 0.56
NAMPT P43490 2/20 0.55
NCOR2 Q9Y618 1/20 0.54
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
POLB P06746 1/20 0.52
EPHA2 P29317 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 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
SCHEMBL23463919 0.90 HDAC1 (0.56) KDM4DKDM4CHDAC1HDAC2HDAC3
SCHEMBL10644415 0.87 HDAC2 (0.66) KDM4DKDM4CHDAC1HDAC2HDAC3
SCHEMBL13740469 0.82 KDM4D (0.65) KDM4DKDM4CHDAC1HDAC2HDAC3
SCHEMBL28561950 0.82 KDM4D (0.69) KDM4DKDM4CHDAC1HDAC2HDAC3
SCHEMBL31261245 0.82 RAB9A (0.58) HDAC1HDAC2HDAC3NAMPTHTT
SCHEMBL22441103 0.82 RAB9A (0.58) HDAC1HDAC2HDAC3NAMPTHTT
SCHEMBL9017891 0.81 HDAC1 (0.49) KDM4DKDM4CHDAC1HDAC2HDAC3
SCHEMBL5571924 0.81 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL30599581 0.81 KDM4D (0.68) KDM4DKDM4CHDAC1HDAC2HDAC3
SCHEMBL12320459 0.81 KDM4D (0.68) KDM4DKDM4CHDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed