SCHEMBL6942579

SCHEMBL6942579

Nc1cccc(N2CCN(c3cccc(N)c3)CC2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.80
MAPT P10636 7/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 4/20 0.60
ALOX12 P18054 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CASP1 P29466 2/20 0.54
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALOX15 P16050 1/20 0.54
CASP7 P55210 1/20 0.54
CYP3A4 P08684 1/20 0.52
RECQL P46063 1/20 0.52
GFER P55789 3/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL7077636 0.98 ADRA2C (0.77) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL2627250 0.93 ADRA2C (0.71) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL15289763 0.91 ADRA2C (0.68) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL533024 0.91 ADRA2C (0.68) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL448110 0.89 ADRA2C (1.00) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL30469317 0.89 ADRA2C (0.66) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL15928733 0.89 ADRA2C (0.66) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL29378385 0.89 ADRA2C (0.66) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL1397693 0.89 ADRA2C (0.66) ADRA2CMAPTALDH1A1LMNAALOX12
Hydrochloric Acid SCHEMBL16209754 0.88 ADRA2C (0.96) ADRA2CMAPTALDH1A1LMNAALOX12

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-1301496-A2 NOVEL COUPLING COMPONENTS FOR OXIDATION COLOURING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-16 EP disclosed
WO-2002006207-A2 NOVEL COUPLING COMPONENTS FOR OXIDATION COLOURING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-01-24 WO disclosed