SCHEMBL6165916

SCHEMBL6165916

N#CCCNc1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 3/20 0.47
THRB P10828 1/20 0.44
CACNA1B Q00975 2/20 0.42
LMNA P02545 1/20 0.42
FFAR1 O14842 1/20 0.42
ICMT O60725 1/20 0.41
OTUD7B Q6GQQ9 1/20 0.41
GRK2 P25098 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40

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
SCHEMBL10994541 0.83 GAA (0.66) ALDH1A1HTTPOLBMAPK1GAA
SCHEMBL11252585 0.81 HTT (0.61) ALDH1A1HTTGAATHRBICMT
SCHEMBL11116522 0.80 ALDH1A1 (0.61) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL10999102 0.80 GAA (0.68) ALDH1A1HTTMAPK1GAATHRB
SCHEMBL141474 0.79 GAA (0.58) ALDH1A1HTTPOLBGAATHRB
SCHEMBL11114277 0.76 ALDH1A1 (0.54) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL11116182 0.76 ALDH1A1 (0.57) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL13123462 0.75 MITF (0.51) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL8292660 0.75 MITF (0.51) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL11934960 0.74 ALDH1A1 (0.48) ALDH1A1HTTMITFPOLBMAPK1

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