SCHEMBL12997462

SCHEMBL12997462

CCN(CC)CCNc1ccc(NC2=CC(=O)C(NCCO)=CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.42
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TERT O14746 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36

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
SCHEMBL12997204 0.90 DNM1 (0.44) DNM1CA1CA2CA9MAPT
SCHEMBL12997449 0.83 DNM1 (0.43) DNM1MAPTMAPK1KMT2ACASP6
SCHEMBL13021555 0.80 DNM1 (0.40) DNM1CA1CA2CA9MAPT
SCHEMBL12997465 0.78 KCNH2 (0.34) CA1CA2CA9TERTADRA2A
SCHEMBL15022768 0.78 DNM1 (0.71) DNM1MAPTMAPK1KMT2ACASP6
SCHEMBL1435599 0.77 DNM1 (0.45) DNM1MAPTMAPK1KMT2ACASP6
SCHEMBL3476002 0.77 DNM1 (0.42) DNM1CA1CA2CA9MAPT
SCHEMBL15022915 0.76 DNM1 (0.50) DNM1CA1CA2CA9MAPT
SCHEMBL12997464 0.76 CA1 (0.38) DNM1CA1CA2CA9ADRA2A
SCHEMBL10494906 0.75 DNM1 (0.43) DNM1MAPTMAPK1KMT2ACASP6

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
WO-2010142777-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 — — WO disclosed
Send feedback