SCHEMBL4050377

SCHEMBL4050377

CCC(CC)Oc1ccc(COc2ccc(/C=C3\SC(Nc4ccc(NS(=O)(=O)C(F)(F)F)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.40
ALOX5 P09917 6/20 0.40
HPGD P15428 6/20 0.38
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 1/20 0.35
AR P10275 1/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL4053526 0.92 PTPN1 (0.39) PTPN1ALOX5HPGDMYCMAX
SCHEMBL4051990 0.92 PTPN1 (0.39) PTPN1ALOX5HPGDMYCMAX
SCHEMBL4052876 0.91 PTPN1 (0.49) PTPN1ALOX5HPGDENPP2AR
SCHEMBL4052873 0.91 PTPN1 (0.49) PTPN1ALOX5HPGDENPP2AR
SCHEMBL4058028 0.91 CISD1 (0.41) PTPN1ALOX5HPGDENPP2AR
SCHEMBL4053976 0.91 PTPN1 (0.39) PTPN1ALOX5HPGDMYCMAX
SCHEMBL4053974 0.91 PTPN1 (0.39) PTPN1ALOX5HPGDMYCMAX
SCHEMBL4054943 0.91 HPGD (0.48) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4054941 0.91 HPGD (0.48) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4050515 0.91 HPGD (0.48) PTPN1ALOX5HPGDARPOLB

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 2 patents. 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 claimed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed