SCHEMBL5696646

SCHEMBL5696646

CC(C)(C)c1ccc(C(=O)NN2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
HDAC1 Q13547 1/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 2/20 0.51
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL280280 0.82 CYP2D6 (0.73) HTTHDAC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL12629113 0.81 CYP2D6 (0.71) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5406540 0.80 HTT (0.73) HTTALDH1A1SMN1; SMN2KMT2ACYP2D6
SCHEMBL55036 0.79 HTT (0.66) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4959035 0.79 HTT (0.66) HTTALDH1A1SMN1; SMN2KMT2ACYP2D6
SCHEMBL2399935 0.78 HTT (0.96) HTTALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL5696862 0.78 HTT (0.61) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14441144 0.78 HTT (0.60) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14441146 0.77 HTT (0.63) HTTALDH1A1SMN1; SMN2MEN1KMT2A
N-Piperidinobenzamide SCHEMBL696161 0.77 HTT (1.00) HTTALDH1A1SMN1; SMN2KMT2AGAA

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
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed