SCHEMBL4048425

SCHEMBL4048425

CSC1=NC(=O)/C(=C/c2ccc(N(C)Cc3ccc(C)cc3)cc2)S1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.62
MAX P61244 1/20 0.62
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 9/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
GFER P55789 1/20 0.43
TNNC1 P63316 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL4049619 1.00 MYC (0.62) MYCMAXALDH1A1MAPTGAA
SCHEMBL4049617 1.00 MYC (0.62) MYCMAXALDH1A1MAPTGAA
SCHEMBL4048429 1.00 MYC (0.62) MYCMAXALDH1A1MAPTGAA
SCHEMBL4057688 0.90 MYC (0.61) MYCMAXALDH1A1MAPTGAA
SCHEMBL4053142 0.88 MYC (0.59) MYCMAXALDH1A1MAPTGAA
SCHEMBL4050459 0.88 MYC (0.59) MYCMAXALDH1A1MAPTGAA
SCHEMBL4053139 0.88 MYC (0.59) MYCMAXALDH1A1MAPTGAA
SCHEMBL4051155 0.88 MYC (0.59) MYCMAXALDH1A1MAPTGAA
SCHEMBL6263164 0.84 ALDH1A1 (0.77) MYCMAXALDH1A1MAPTGAA
SCHEMBL6263166 0.84 ALDH1A1 (0.77) MYCMAXALDH1A1MAPTGAA

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