SCHEMBL9507994

SCHEMBL9507994

COC(C)(NC(O)=S)OC.NC(O)=S

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL2235811 0.76
SCHEMBL6759439 0.70 CRBN (0.32)
SCHEMBL9507987 0.70 MEN1 (0.33) MEN1KMT2A
SCHEMBL9321023 0.68 CA12 (0.39) MEN1KMT2A
SCHEMBL6399290 0.67 ALDH1A1 (0.33)
SCHEMBL1702317 0.67
SCHEMBL9222625 0.67 CA12 (0.39)
SCHEMBL28355393 0.65 POLB (0.40) MEN1KMT2A
SCHEMBL28352200 0.65 MEN1 (0.33) MEN1KMT2A
Hydrochloric Acid SCHEMBL5745453 0.65 ALDH1A1 (0.32)

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-0445190-B1 PHARMACEUTICAL PRODUCT HAVING, IN PARTICULAR, A CARDIAC TROPISM COMPRISING A NITRURO COMPLEX OF A TRANSITION METAL AND PROCESS FOR PREPARATION THEREOF CIS BIO INTERNATIONAL (FR) 1993-09-15 EP disclosed
EP-0445190-A1 PHARMACEUTICAL PRODUCT HAVING, IN PARTICULAR, A CARDIAC TROPISM COMPRISING A NITRURO COMPLEX OF A TRANSITION METAL AND PROCESS FOR PREPARATION THEREOF. CIS BIO INT (FR) 1991-09-11 EP disclosed
WO-1990006137-A1 PHARMACEUTICAL PRODUCT HAVING, IN PARTICULAR, A CARDIAC TROPISM COMPRISING A NITRURO COMPLEX OF A TRANSITION METAL AND PROCESS FOR PREPARATION THEREOF CIS BIO INTERNATIONAL (FR) 1990-06-14 WO disclosed