SCHEMBL9345467

SCHEMBL9345467

ClCSc1ncc(Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10973711 0.82 MAPK1 (0.38) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL19597423 0.78 MAPT (0.39) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9345478 0.78 MAPK1 (0.35) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7563308 0.74
SCHEMBL10744265 0.73 RXRA (0.34) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10973292 0.73 L3MBTL1 (0.58) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10977345 0.70 FDPS (0.38) MAPK1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11240410 0.70 ALDH1A1 (0.38) MAPK1KMT2AMEN1MAPTL3MBTL1
SCHEMBL10979388 0.69 NPC1 (0.51) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10976099 0.69 MAPK1 (0.32) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361185-B1 2-halogenomethylthio-substituted pyrimidine derivatives BAYER AG (DE) 1994-06-22 EP disclosed
US-4978382-A Insecticides, miticides, nematocides BAYER AKTIENGESELLSCHAFT (DE) 1990-12-18 US disclosed
EP-0361185-A2 2-halogenomethylthio-substituted pyrimidine derivatives BAYER AG (DE) 1990-04-04 EP disclosed
EP-0033195-B1 PYRIMIDINE-2-SULPHIDES AND THEIR S-OXIDES FOR USE IN MEDICINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THEIR PREPARATION AND SUCH COMPOUNDS WHEN NOVEL PER SE NYEGAARD & CO. A/S (NO) 1985-12-04 EP disclosed
US-4423047-A INHIBITING ABNORMAL CELL PROLIFERATION NYEGAARD & CO. A/S (NO) 1983-12-27 US disclosed
EP-0033195-A1 Pyrimidine-2-sulphides and their S-oxides for use in medicine, pharmaceutical compositions containing them, processes for their preparation and such compounds when novel per se NYEGAARD & CO. A/S (NO) 1981-08-05 EP disclosed