SCHEMBL4056465

SCHEMBL4056465

CCCCc1ccc(CNCc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 3/20 0.65
MAX P61244 3/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
NAT1 P18440 5/20 0.52
CISD1 Q9NZ45 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CLK1 P49759 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
DYRK1A Q13627 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
CTSD P07339 2/20 0.52
CA2 P00918 1/20 0.51
EPHX1 P07099 1/20 0.51
IGF1R P08069 1/20 0.50
PIM1 P11309 1/20 0.50
PIM2 Q9P1W9 1/20 0.50

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
SCHEMBL7958380 0.86 MMP3 (0.66) MYCMAXNPC1RAB9ACRHBP
SCHEMBL7958378 0.86 MMP3 (0.66) MYCMAXNPC1RAB9ACRHBP
SCHEMBL4056466 0.83 CRHBP (0.61) MYCMAXNPC1RAB9ACRHBP
SCHEMBL7968119 0.83 MMP3 (0.72) MYCMAXNPC1RAB9ACSNK2A2
SCHEMBL7968122 0.83 MMP3 (0.72) MYCMAXNPC1RAB9ACSNK2A2
SCHEMBL4052864 0.83 NAT1 (0.77) MYCMAXNPC1RAB9ACRHBP
SCHEMBL7972208 0.83 MMP3 (0.65) MYCMAXNPC1RAB9ACRHBP
SCHEMBL7972211 0.83 MMP3 (0.65) MYCMAXNPC1RAB9ACRHBP
SCHEMBL4058652 0.82 MYC (0.63) MYCMAXNPC1RAB9ACRHBP
SCHEMBL4049839 0.80 MMP3 (0.71) MYCMAXNPC1RAB9ACSNK2A2

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-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed