SCHEMBL8101869

SCHEMBL8101869

COC(N)=S.NC(=S)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.53
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
PLAU P00749 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MAOB P27338 1/20 0.39
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
SCHEMBL27333850 0.93 KIF11 (0.59) KIF11PRSS1ACRALDH1A1LMNA
SCHEMBL8103773 0.77 GAA (0.47) PRSS1ACRALDH1A1LMNAKMT2A
SCHEMBL6310745 0.75 CA4 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL7306942 0.74 CA1 (0.52) PRSS1ALDH1A1CA1CA2CA9
SCHEMBL697018 0.74 KIF11 (0.56) KIF11PRSS1ACRALDH1A1LMNA
SCHEMBL28962966 0.74 KIF11 (0.56) KIF11PRSS1ACRALDH1A1CA1
SCHEMBL4316832 0.73 KIF11 (0.89) KIF11PRSS1ACRALDH1A1CA1
SCHEMBL11579428 0.73 KIF11 (0.50) KIF11PRSS1ACRALDH1A1CA1
SCHEMBL28674679 0.73 CA4 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL28806666 0.73 CA4 (0.41) ALDH1A1MEN1KMT2A

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
US-6121476-A Process for preparing dithiocarbonimide derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-19 US disclosed
EP-0811612-B1 Process for preparing dithiocarbonimide derivatives SUMITOMO CHEMICAL CO (JP) 1999-03-03 EP disclosed
EP-0811612-A1 Process for preparing dithiocarbonimide derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-12-10 EP disclosed