SCHEMBL11040202

SCHEMBL11040202

CS(=O)(=O)OCC(C#N)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CTSS P25774 6/20 0.38
CTSK P43235 4/20 0.38
CTSL P07711 5/20 0.37
CTSB P07858 3/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.37
CTSC P53634 4/20 0.37

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
SCHEMBL4756135 0.80 CA1 (0.40) CA1CA2CA9
SCHEMBL4756128 0.80 CA1 (0.40) CA1CA2CA9
SCHEMBL16169019 0.78 NPC1 (0.43)
SCHEMBL14388004 0.78 NPC1 (0.43)
SCHEMBL11040175 0.77 CTSS (0.44) ANPEPCTSSCTSKCTSLCTSB
SCHEMBL6953092 0.77 EPHX1 (0.53) ANPEPCA1CA2CA9
SCHEMBL11044498 0.77 TSHR (0.40) CA1CA2CA9
SCHEMBL1343851 0.76 EPHX1 (0.48) ANPEPCTSSCTSKMAOBCTSC
SCHEMBL7525591 0.75 EPHX1 (0.40) ANPEPCTSSCTSKCTSLCTSB
SCHEMBL7525598 0.75 EPHX1 (0.40) ANPEPCTSSCTSKCTSLCTSB

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