SCHEMBL7300947

SCHEMBL7300947

COC(=O)C(Cc1ccccc1)CS(=O)(=O)C1CN(C)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
REN P00797 1/20 0.42
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
POLB P06746 2/20 0.40
FOLH1 Q04609 1/20 0.40
CPA3 P15088 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL7384720 0.88 GAA (0.45) KMT2AMEN1RENGAACA12
SCHEMBL9820259 0.87 CPA3 (0.50) RENFOLH1CPA3CYP1A2
Hydrochloric Acid SCHEMBL7290196 0.86 CPA3 (0.49) RENFOLH1CPA3CYP1A2
SCHEMBL7298720 0.85 SMN1; SMN2 (0.46) KMT2AMEN1GAAFOLH1CYP2C19
SCHEMBL7434085 0.85 CPA3 (0.41) RENCA2CA9POLBFOLH1
SCHEMBL7332863 0.78 HSD17B10 (0.46) KMT2AMEN1RENGAACA12
SCHEMBL21962937 0.77 KMT2A (0.51) KMT2AMEN1CA12CA2CA7
SCHEMBL21962922 0.76 KMT2A (0.57) KMT2AMEN1CA12CA2CA7
SCHEMBL7335528 0.76 KMT2A (0.50) KMT2AMEN1CA12CA2CA7
SCHEMBL7332197 0.76 KMT2A (0.50) KMT2AMEN1CA12CA2CA7

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
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed