SCHEMBL3945199

SCHEMBL3945199

Cc1ccc(CC(=O)Cc2ccc([S+](C)[O-])nc2)c(Nc2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.34
▸ ITK Q08881 2/20 0.34
▸ PDE4B Q07343 7/20 0.34
▸ BTK Q06187 2/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ JAK3 P52333 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ STAT6 P42226 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 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
SCHEMBL849127 0.79 STAT6 (0.37) EGFRITKPDE4BBTKSTAT6
SCHEMBL27800295 0.70 MAPT (0.42) PDE4BDHODHPPARGKDM4ENPC1
SCHEMBL3637778 0.66 GAA (0.38) EGFRKDM4E
SCHEMBL3630787 0.66 GAA (0.34) EGFRITKBTKJAK3STAT6
SCHEMBL3634212 0.64 LMNA (0.42) PDE4BPPARGKDM4ENPC1RAB9A
SCHEMBL8171612 0.62 DHODH (0.57) PDE4BDHODHNPC1RAB9A
SCHEMBL847744 0.62 STAT6 (0.39) EGFRITKPDE4BBTKSTAT6
SCHEMBL846959 0.62 FFAR1 (0.40) PDE4BNAMPTSTAT6MAPK8NPC1
SCHEMBL846971 0.61 STAT6 (0.38) EGFRITKPDE4BBTKSTAT6
SCHEMBL846982 0.61 MAPT (0.44) DHODHMAPK8KDM4ENPC1RAB9A

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
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
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