SCHEMBL6163838

SCHEMBL6163838

N#CCCNCc1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CYP1A2 P05177 2/20 0.45
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL894052 0.83 MAOA (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3265279 0.78 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6154350 0.77 KDM1A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1037165 0.77 KDM1A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1094558 0.77 KDM1A (0.54) KDM1AMAOAMAOBCYP1A2MAPT
SCHEMBL30724323 0.77 MEN1 (0.54) KDM1AMAOAMAOBCYP1A2MEN1
SCHEMBL1999657 0.77 MEN1 (0.54) KDM1AMAOAMAOBCYP1A2MEN1
SCHEMBL14982887 0.75 ATG4B (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21171720 0.74 HDAC6 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21171743 0.74 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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 4 patents. 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
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
EP-1210335-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 EP disclosed
WO-2001014342-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 WO disclosed