SCHEMBL6847201

SCHEMBL6847201

NC(=O)NS(=O)(=O)c1sc(Cl)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.43
CCKBR P32239 1/20 0.43
KMT2A Q03164 2/20 0.35
FLT1 P17948 4/20 0.34
FLT4 P35916 4/20 0.34
KDR P35968 4/20 0.34
FBP1 P09467 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
F2 P00734 1/20 0.32
MCL1 Q07820 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA13 Q8N1Q1 2/20 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
SCHEMBL6804322 0.87 CCR4 (0.41) CCR4CCKBRKMT2AFLT1FLT4
SCHEMBL6807253 0.80 CCR4 (0.40) CCR4CCKBRKMT2A
SCHEMBL7562585 0.78 CCR4 (0.48) CCR4CCKBRKMT2AFLT1FLT4
SCHEMBL1548108 0.78 CCR4 (0.41) CCR4CCKBRKMT2ATDP1CA12
SCHEMBL7567612 0.77 CCR4 (0.42) CCR4CCKBRKMT2AFLT1FLT4
SCHEMBL6802957 0.77 CCR4 (0.38) CCR4CCKBR
SCHEMBL6807252 0.75 CCR4 (0.40) CCR4CCKBRKMT2AFBP1MEN1
SCHEMBL2914947 0.74 DAO (0.41) CCR4CCKBRKMT2AFBP1TDP1
Hydrochloric Acid SCHEMBL27779746 0.73 DAO (0.39) CCR4CCKBRKMT2ATDP1DAO
SCHEMBL390902 0.72 CCR4 (0.40) CCR4CCKBRKMT2AFLT1FLT4

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
EP-1412364-A1 PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
WO-2003011872-A1 PLATELET ADP RECEPTOR INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-02-13 WO disclosed