SCHEMBL4056471

SCHEMBL4056471

CSC1=NC(=O)/C(=C\c2ccc(OCCc3ccccc3)cc2)S1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
MYC P01106 1/20 0.59
MAX P61244 1/20 0.59
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
ALOX5 P09917 7/20 0.53
PTPN1 P18031 6/20 0.53
AKR1B1 P15121 3/20 0.53
PTPN2 P17706 1/20 0.48
ACP1 P24666 1/20 0.48
POLB P06746 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL4056474 1.00 HPGD (0.61) HPGDMYCMAXALDH1A1GAA
SCHEMBL4050936 0.90 MYC (0.61) HPGDMYCMAXALDH1A1GAA
SCHEMBL4050935 0.90 MYC (0.61) HPGDMYCMAXALDH1A1GAA
SCHEMBL4053705 0.90 ALOX5 (0.64) HPGDMYCMAXALDH1A1GAA
SCHEMBL4053703 0.90 ALOX5 (0.64) HPGDMYCMAXALDH1A1GAA
SCHEMBL4054879 0.85 MYC (0.67) HPGDMYCMAXALDH1A1GAA
SCHEMBL4054876 0.85 MYC (0.67) HPGDMYCMAXALDH1A1GAA
SCHEMBL4050895 0.83 MYC (0.53) HPGDMYCMAXALDH1A1GAA
SCHEMBL4051796 0.82 MYC (0.66) HPGDMYCMAXALDH1A1GAA
SCHEMBL4051795 0.82 MYC (0.66) HPGDMYCMAXALDH1A1GAA

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