SCHEMBL4050890

SCHEMBL4050890

CSC1=NC(=O)/C(=C\c2ccc(OC(C)c3ccc(C4CCCCC4)cc3)cc2)S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
HTT P42858 2/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 4/20 0.38
MITF O75030 2/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PTPN1 P18031 1/20 0.37
ALOX5 P09917 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4052863 0.84 MYC (0.46) MAPTALDH1A1GAAMYCMAX
SCHEMBL4052867 0.84 MYC (0.46) MAPTALDH1A1GAAMYCMAX
SCHEMBL4053039 0.82 MYC (0.56) MAPTALDH1A1GAAMYCMAX
SCHEMBL4053037 0.82 MYC (0.56) MAPTALDH1A1GAAMYCMAX
SCHEMBL4057766 0.81 MYC (0.57) MAPTALDH1A1GAAMYCMAX
SCHEMBL4057769 0.81 MYC (0.57) MAPTALDH1A1GAAMYCMAX
SCHEMBL4050895 0.80 MYC (0.53) MAPTALDH1A1GAAMYCMAX
SCHEMBL4057273 0.78 MYC (0.57) MYCMAXKMT2AMEN1RAB9A
SCHEMBL4052992 0.77 HTT (0.33) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL4054761 0.75 ALDH1A3 (0.47) MAPTALDH1A1KMT2AMEN1RAB9A

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