SCHEMBL9537883

SCHEMBL9537883

NC(=S)Nc1c(Cl)cccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
ALDH1A1 P00352 4/20 0.44
TP53 P04637 1/20 0.44
TYR P14679 1/20 0.44
TSHR P16473 1/20 0.44
TAS2R38 P59533 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.41
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3264509 0.82 GAA (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL9311982 0.80 ALDH1A1 (0.44) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL9539998 0.80 ALDH1A1 (0.44) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3972345 0.79 LMNA (0.54) CYP2A6ALDH1A1LMNAKMT2AMEN1
SCHEMBL11158773 0.78 PLK1 (0.55) ALDH1A1LMNAKMT2AMEN1
SCHEMBL21244220 0.77 LMNA (0.51) CYP2A6ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL15619469 0.74 ALDH1A1 (0.53) CYP2A6ALDH1A1LMNAKMT2AMEN1
SCHEMBL9537505 0.74 SLC9A1 (0.42) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL6833530 0.74 GAA (0.46) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL11159821 0.73 FABP4 (0.51) ALDH1A1TP53TYRTSHRTAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
EP-0017484-B1 2-IMIDAZOLINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-06 EP disclosed
EP-0017484-A1 2-Imidazoline derivatives, process for the preparation thereof and the pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 EP disclosed