SCHEMBL8944099

SCHEMBL8944099

O=[N+]([O-])c1ccc(O)cc1SCCO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA2 P00918 3/20 0.54
BACE1 P56817 2/20 0.44
GSTP1 P09211 4/20 0.44
GSTM2 P28161 4/20 0.44
EGFR P00533 2/20 0.40
GPR35 Q9HC97 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL10888237 0.83 ALDH1A1 (0.58) ALDH1A1MAPTRAB9AL3MBTL1CA2
SCHEMBL8446872 0.83 ALDH1A1 (0.58) ALDH1A1MAPTRAB9AL3MBTL1CA2
SCHEMBL8540296 0.81 CA2 (0.60) ALDH1A1MAPTRAB9AL3MBTL1CA2
SCHEMBL7458037 0.78 CA2 (0.57) ALDH1A1MAPTRAB9AL3MBTL1CA2
SCHEMBL28798451 0.77 ALDH1A1 (0.52) ALDH1A1MAPTRAB9AL3MBTL1CA2
SCHEMBL29662266 0.76 BACE1 (0.45) ALDH1A1BACE1EGFRGPR35NPSR1
SCHEMBL2935849 0.76 BACE1 (0.45) ALDH1A1BACE1EGFRGPR35NPSR1
SCHEMBL8444661 0.76 HTT (0.52) ALDH1A1MAPTRAB9AL3MBTL1CA2
SCHEMBL832001 0.74 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1CA2GPR35
SCHEMBL12291532 0.73 CA2 (0.63) ALDH1A1MAPTRAB9AL3MBTL1CA2

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
EP-0146007-B1 PROCESS FOR THE PREPARATION OF 5-HYDROXYETHYLSULPHONYL-2-AMINOPHENOL (OR ETHERS) HOECHST AKTIENGESELLSCHAFT (DE) 1986-12-30 EP claimed
US-5503640-A ALKYLTHIO PARA-AMINOPHENOLS IN AQUEOUS VEHICLE FOR DYEING HUMAN HAIR L'OREAL (FR) 1996-04-02 US disclosed
US-5364413-A Oxidation color dyes for hair L'OREAL (FR) 1994-11-15 US disclosed
US-5084067-A Indoaniline dyes for hair dyes L'OREAL (FR) 1992-01-28 US disclosed