SCHEMBL4053142

SCHEMBL4053142

CSC1=NC(=O)C(=Cc2ccc(N(C)Cc3ccc(C(C)C)cc3)cc2)S1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.59
MAX P61244 2/20 0.59
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
HTT P42858 2/20 0.46
PIM1 P11309 2/20 0.43
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
GFER P55789 1/20 0.41
TNNC1 P63316 1/20 0.41
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
MITF O75030 3/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL4051155 1.00 MYC (0.59) MYCMAXMAPTALDH1A1GAA
SCHEMBL4053139 1.00 MYC (0.59) MYCMAXMAPTALDH1A1GAA
SCHEMBL4050459 0.89 MYC (0.59) MYCMAXMAPTALDH1A1GAA
SCHEMBL4049619 0.88 MYC (0.62) MYCMAXMAPTALDH1A1GAA
SCHEMBL4048429 0.88 MYC (0.62) MYCMAXMAPTALDH1A1GAA
SCHEMBL4048425 0.88 MYC (0.62) MYCMAXMAPTALDH1A1GAA
SCHEMBL4049617 0.88 MYC (0.62) MYCMAXMAPTALDH1A1GAA
SCHEMBL4057688 0.87 MYC (0.61) MYCMAXMAPTALDH1A1GAA
SCHEMBL12961175 0.85 MAPT (0.71) MYCMAXMAPTALDH1A1GAA
SCHEMBL4051154 0.82 MYC (0.64) MYCMAXMAPTALDH1A1GAA

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