SCHEMBL9537879

SCHEMBL9537879

NC(=S)Nc1ccccc1-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
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
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1605140 0.84 ALDH1A1 (0.66) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL29654081 0.84 ALDH1A1 (0.66) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL4359338 0.83 CYP1A2 (0.56) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL27500298 0.82 ALDH1A1 (0.63) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL9311622 0.79 TDP1 (0.49) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL11161401 0.78 ALDH1A1 (0.53) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL9311245 0.78 L3MBTL1 (0.52) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL7593748 0.77 L3MBTL1 (0.71) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL650892 0.77 MEN1 (0.56) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL9311653 0.77 SIGMAR1 (0.57) L3MBTL1ALDH1A1KDM4EMAPTLMNA

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