SCHEMBL6658731

SCHEMBL6658731

CCCNc1cc(OC)c2c(c1O)CC(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
GSK3B P49841 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32

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
SCHEMBL6658183 0.90 ADRB3 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6656072 0.84 CISD1 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6382626 0.81 HTT (0.46) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6659420 0.81 LMNA (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6380414 0.79 MEN1 (0.41) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL6658205 0.76 FLI1 (0.32) ALDH1A1
SCHEMBL6662193 0.73 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6662700 0.73 CISD1 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL6382649 0.72 HTT (0.44) KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6382631 0.71 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3

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-1438949-A1 Composition for dyeing keratinous fibres comprising an acylaminophenol coupler L'OREAL (FR) 2004-07-21 EP claimed
EP-1438949-A1 Composition for dyeing keratinous fibres comprising an acylaminophenol coupler L'OREAL (FR) 2004-07-21 EP disclosed