SCHEMBL2364436

SCHEMBL2364436

COc1ccc2ccc(S(=O)(=O)N[C@]3(Cc4ccc(C#N)s4)CCNC3=O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.38
KLK6 Q92876 2/20 0.38
RAPGEF3 O95398 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARG Q86W56 4/20 0.35
PLAU P00749 2/20 0.35
F2 P00734 2/20 0.34
CNR1 P21554 1/20 0.33
PRSS1 P07477 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL7382013 0.79 F2 (0.36) F10KLK6RAPGEF3POLBNPSR1
SCHEMBL7384883 0.78 F10 (0.40) F10RAPGEF3POLBNPSR1MEN1
SCHEMBL7382892 0.75 NCF1 (0.43) F10RAPGEF3MEN1KMT2AF2
SCHEMBL7374683 0.74 F10 (0.37) F10RAPGEF3PARGPLAUF2
SCHEMBL7385658 0.74 PARG (0.36) F10RAPGEF3POLBNPSR1MEN1
Trifluoroacetic Acid SCHEMBL7471306 0.74 F2 (0.41) F10KLK6RAPGEF3MEN1KMT2A
SCHEMBL7381947 0.73 MEN1 (0.35) F10RAPGEF3POLBNPSR1MEN1
Trifluoroacetic Acid SCHEMBL7374889 0.70 NOS1 (0.46) F10RAPGEF3F2PRSS1
Trifluoroacetic Acid SCHEMBL7375646 0.70 RAPGEF3 (0.35) F10RAPGEF3MEN1KMT2APLAU
SCHEMBL7375549 0.70 F10 (0.37) F10RAPGEF3KMT2APARGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed