SCHEMBL11043356

SCHEMBL11043356

CS(=O)(=O)OCC(Cc1ccccc1)NC=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.63
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
SLC6A4 P31645 1/20 0.44
PIN1 Q13526 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
ATM Q13315 1/20 0.36
TACR1 P25103 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL13779506 0.83 TAAR1 (0.44) EPHX1TAAR1PIN1CA2CA7
SCHEMBL18995775 0.83 TAAR1 (0.44) EPHX1TAAR1PIN1CA2CA7
SCHEMBL13884119 0.81 SIGMAR1 (0.41) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL11043354 0.79 EPHX1 (0.67) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL29257172 0.79 EPHX1 (1.00) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL13884350 0.76 CYP3A4 (0.51) PIN1CYP3A4MAPK1
SCHEMBL4756128 0.76 CA1 (0.40) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL7509446 0.76 EPHX1 (0.79) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL4756135 0.76 CA1 (0.40) EPHX1MEN1KMT2ATAAR1SLC6A4
SCHEMBL9667082 0.76 TACR1 (0.40) EPHX1MEN1KMT2ATAAR1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4490165-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof AMERICAN CYANAMID COMPANY (US) 1984-12-25 US disclosed
US-4308213-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds AMERICAN CYANAMID COMPANY (US) 1981-12-29 US disclosed