SCHEMBL16456528

SCHEMBL16456528

Cc1ccc(-c2nccs2)cc1-c1ccc(NC(=O)Oc2snnc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ KCNB1 Q14721 4/20 0.39
▸ MAPK14 Q16539 3/20 0.38
▸ SMO Q99835 1/20 0.38
▸ PORCN Q9H237 2/20 0.37
▸ ENPP3 O14638 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ NTRK1 P04629 3/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ HDAC2 Q92769 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL17435143 0.84 IL2 (0.39) ABL1PTGDR2MAPK14SMOPORCN
SCHEMBL8261109 0.83 LMNA (0.51) ABL1PTGDR2MAPK14SMOPORCN
SCHEMBL16456582 0.83 MAPK14 (0.43) MAPK14SMOPORCNCHEK2
SCHEMBL5033811 0.82 ABL1 (0.43) ABL1PTGDR2MAPK14SMOPORCN
SCHEMBL16456523 0.81 PORCN (0.52) ABL1PORCN
SCHEMBL16456595 0.81 MAPK14 (0.37) MAPK14PORCN
SCHEMBL14562850 0.80 PORCN (0.37) ABL1PTGDR2MAPK14SMOPORCN
SCHEMBL5030737 0.76 ADORA2A (0.51) ABL1PTGDR2KCNB1MAPK14SMO
SCHEMBL5030575 0.76 KCNB1 (0.52) ABL1PTGDR2KCNB1PORCNNTRK1
SCHEMBL5033015 0.75 ABL1 (0.47) ABL1PTGDR2MAPK14SMOPORCN

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-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 — — EP claimed
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