SCHEMBL11388748

SCHEMBL11388748

NC1=CC(=O)C(Nc2ccc(O)c(Cl)c2)=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.47
▸ GSK3B P49841 6/20 0.42
▸ STK10 O94804 3/20 0.41
▸ SLK Q9H2G2 3/20 0.41
▸ GSK3A P49840 3/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HSD17B3 P37058 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ CCNB2 O95067 1/20 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
SCHEMBL11784246 0.78 DNM1 (0.42) DNM1GSK3BSTK10SLKGSK3A
SCHEMBL15020452 0.77 DNM1 (0.42) DNM1GSK3BSTK10SLKGSK3A
SCHEMBL15020067 0.77 DNM1 (0.42) DNM1GSK3BSTK10SLKGSK3A
SCHEMBL15020065 0.77 DNM1 (0.42) DNM1GSK3BSTK10SLKGSK3A
SCHEMBL15039580 0.77 DNM1 (0.42) DNM1GSK3BSTK10SLKGSK3A
SCHEMBL11677342 0.76 DNM1 (0.50) DNM1GSK3BHSD17B10ALDH1A1MAPT
SCHEMBL15020450 0.74 DNM1 (0.39) DNM1GSK3BSTK10SLKGSK3A
SCHEMBL17745046 0.74 DNM1 (0.39) DNM1GSK3BSTK10SLKGSK3A
SCHEMBL11390354 0.74 DNM1 (0.55) DNM1HSD17B10ALDH1A1LMNAMAPT
SCHEMBL15020488 0.73 DNM1 (0.38) DNM1GSK3BSTK10SLKGSK3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260749-A HAIR DYES L'OREAL (FR) 1981-04-07 — — US disclosed
US-4204059-A HAIR DYES L'OREAL (FR) 1980-05-20 — — US disclosed
US-4084052-A HAIR DYES L'OREAL (FR) 1978-04-11 — — US disclosed
US-4023926-A Diaminobenzoquinones in hair dye compositions SOCIETE ANONYME DITE: L'OREAL (FR) 1977-05-17 — — US disclosed
Send feedback