SCHEMBL8079249

SCHEMBL8079249

OCn1c(=S)sc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 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
SCHEMBL6547890 0.85 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL14136137 0.82 DRD2 (0.52) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL513869 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL3393854 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL5580041 0.79 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL11782096 0.78 DRD2 (0.48) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL11780045 0.78 L3MBTL1 (0.65) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL11083559 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2HPGDHSD17B10DRD2
SCHEMBL10831761 0.77 L3MBTL1 (0.64) ALDH1A1CYP1A2L3MBTL1HTTKDM4E
SCHEMBL9629816 0.77 DRD2 (0.53) ALDH1A1CYP1A2HPGDHSD17B10DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025967-A1 Wood treatment agent Lonza AG (CH) 2000-08-09 EP claimed
JP-3178905-A None JP disclosed
EP-1025967-A1 Wood treatment agent Lonza AG (CH) 2000-08-09 EP disclosed
EP-0715495-B1 ANTIBACTERIAL AND ANTIFOULING OXATHIAZINES AND THEIR OXIDES JANSSEN PHARMACEUTICA NV (BE) 1998-03-11 EP disclosed
JP-H03178905-A UNDERWATER ANTIFOULING AGENT SANSHIN CHEM IND CO LTD 1991-08-02 JP disclosed