SCHEMBL4058656

SCHEMBL4058656

CC(C)Cc1ccc(N(C)Cc2ccc(C=C3SC(=S)NC3=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.62
CRHR2 Q13324 3/20 0.62
MYC P01106 3/20 0.59
MAX P61244 3/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
GPR35 Q9HC97 1/20 0.54
GSK3B P49841 1/20 0.51
NAT1 P18440 5/20 0.50
CSNK2A2 P19784 1/20 0.50
CLK1 P49759 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
CISD1 Q9NZ45 1/20 0.50
CA2 P00918 1/20 0.49

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
SCHEMBL8179140 0.89 MYC (0.72) CRHBPCRHR2MYCMAXNPC1
SCHEMBL8179142 0.89 MYC (0.72) CRHBPCRHR2MYCMAXNPC1
SCHEMBL4057818 0.89 MYC (0.73) CRHBPCRHR2MYCMAXNPC1
SCHEMBL4057820 0.89 MYC (0.73) CRHBPCRHR2MYCMAXNPC1
SCHEMBL4057695 0.87 CRHBP (0.67) CRHBPCRHR2MYCMAXNPC1
SCHEMBL4057692 0.87 CRHBP (0.67) CRHBPCRHR2MYCMAXNPC1
SCHEMBL4058915 0.87 CRHBP (0.67) CRHBPCRHR2MYCMAXNPC1
SCHEMBL4051639 0.87 CRHBP (0.67) CRHBPCRHR2MYCMAXNPC1
SCHEMBL4052866 0.86 NAT1 (0.70) CRHBPCRHR2MYCMAXNPC1
SCHEMBL4056466 0.83 CRHBP (0.61) CRHBPCRHR2MYCMAXNPC1

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