SCHEMBL4053703

SCHEMBL4053703

CSC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.64
MYC P01106 1/20 0.63
MAX P61244 1/20 0.63
HPGD P15428 5/20 0.60
PTPN1 P18031 3/20 0.60
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
MMP3 P08254 2/20 0.56
MMP13 P45452 2/20 0.56
ENPP2 Q13822 2/20 0.55
AKR1B1 P15121 2/20 0.52
PPARG P37231 1/20 0.49

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
SCHEMBL4053705 1.00 ALOX5 (0.64) ALOX5MYCMAXHPGDPTPN1
SCHEMBL4054879 0.95 MYC (0.67) ALOX5MYCMAXHPGDPTPN1
SCHEMBL4054876 0.95 MYC (0.67) ALOX5MYCMAXHPGDPTPN1
SCHEMBL4056474 0.90 HPGD (0.61) ALOX5MYCMAXHPGDPTPN1
SCHEMBL4056471 0.90 HPGD (0.61) ALOX5MYCMAXHPGDPTPN1
SCHEMBL4057966 0.89 MYC (0.65) ALOX5MYCMAXHPGDPTPN1
SCHEMBL4058214 0.89 MYC (0.65) ALOX5MYCMAXHPGDPTPN1
SCHEMBL4054061 0.89 MYC (0.65) ALOX5MYCMAXHPGDALDH1A1
SCHEMBL4056061 0.89 MYC (0.81) ALOX5MYCMAXHPGDPTPN1
SCHEMBL4054059 0.89 MYC (0.65) ALOX5MYCMAXHPGDALDH1A1

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