SCHEMBL8030679

SCHEMBL8030679

CCN1NC(c2cccc(OC)c2)C(=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
HTR2C P28335 3/20 0.43
CHRNA7 P36544 2/20 0.43
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
CYP19A1 P11511 1/20 0.41
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6730883 0.79 LMNA (0.50) ALDH1A1KMT2AMEN1
SCHEMBL11647775 0.70 DDB1 (0.56) DDB1CRBNHTR2CALDH1A1MAPT
SCHEMBL24877574 0.69 DRD2 (0.62) DRD2HTR2CKDM1ARCOR1HTR2A
SCHEMBL5339211 0.68 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1
SCHEMBL11083722 0.67 DRD2 (0.59) DRD2DDB1CRBNHTR2CCHRNA7
SCHEMBL6385829 0.66 DDB1 (0.55) DDB1CRBNHTR2CKDM1ARCOR1
SCHEMBL1268402 0.66 PDE4A (0.62) DDB1CRBNHTR2CKDM4EALDH1A1
SCHEMBL10508333 0.66 HTR2C (0.51) DDB1CRBNHTR2CKDM1ARCOR1
SCHEMBL8350724 0.66 DRD2 (0.79) DRD2HTR2C
SCHEMBL8041637 0.66 PDE4A (0.62) DDB1CRBNHTR2CKDM4EALDH1A1

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-0981320-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 2000-03-01 EP disclosed
WO-1998051268-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 1998-11-19 WO disclosed