SCHEMBL6649779

SCHEMBL6649779

C[n+]1c2cc(Cl)ccc2c(C=O)c2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
ERN1 O75460 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.34
PTGER4 P35408 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CHKA P35790 3/20 0.33
AHR P35869 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.33
INSR P06213 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
SCHEMBL6646841 0.82 ACHE (0.41) TDP1SMN1; SMN2PTGER4NPSR1AHR
SCHEMBL11298888 0.76 TDP1 (0.46) TDP1ALOX15ERN1TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL11299376 0.74 TDP1 (0.45) TDP1ALOX15ERN1TP53SMN1; SMN2
SCHEMBL2026490 0.72 ACHE (0.54) ERN1
SCHEMBL10997990 0.71 SLC2A1 (0.46) TDP1ALOX15ERN1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL11307480 0.69 SLC2A1 (0.49) TDP1ALOX15ERN1SMN1; SMN2HSD17B10
SCHEMBL10488245 0.69 SLC2A1 (0.51) TDP1ALOX15ERN1TP53SMN1; SMN2
SCHEMBL7767420 0.67 INSR (0.57) TDP1ERN1SMN1; SMN2HSD17B10NPSR1
SCHEMBL10488425 0.67 SLC2A1 (0.54) TDP1ALOX15ERN1TP53SMN1; SMN2
SCHEMBL10488239 0.67 SLC2A1 (0.54) TDP1ALOX15ERN1TP53SMN1; SMN2

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-1433785-A1 Agents for the coloration of keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1433785-A1 Agents for the coloration of keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP disclosed