SCHEMBL4050459

SCHEMBL4050459

CSC1=NC(=O)C(=Cc2ccc(CN(C)c3ccc(CC(C)C)cc3)cc2)S1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.59
MAX P61244 1/20 0.59
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 9/20 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
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
GLA P06280 1/20 0.38
ALOX5 P09917 1/20 0.38
IDE P14735 1/20 0.38

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
SCHEMBL4053139 0.89 MYC (0.59) MYCMAXMAPTALDH1A1GAA
SCHEMBL4053142 0.89 MYC (0.59) MYCMAXMAPTALDH1A1GAA
SCHEMBL4051155 0.89 MYC (0.59) MYCMAXMAPTALDH1A1GAA
SCHEMBL4048429 0.88 MYC (0.62) MYCMAXMAPTALDH1A1GAA
SCHEMBL4048425 0.88 MYC (0.62) MYCMAXMAPTALDH1A1GAA
SCHEMBL4049617 0.88 MYC (0.62) MYCMAXMAPTALDH1A1GAA
SCHEMBL4049619 0.88 MYC (0.62) MYCMAXMAPTALDH1A1GAA
SCHEMBL4057688 0.87 MYC (0.61) MYCMAXMAPTALDH1A1GAA
SCHEMBL4053379 0.81 MYC (0.61) MYCMAXMAPTALDH1A1GAA
SCHEMBL4053383 0.81 MYC (0.61) 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