SCHEMBL4060735

SCHEMBL4060735

COc1cc(C=C2SC(Nc3ccc(NS(=O)(=O)C(F)(F)F)cc3)=NC2=O)ccc1OCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.48
CISD1 Q9NZ45 3/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
POLB P06746 2/20 0.43
ADAMTS5 Q9UNA0 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
PTPN1 P18031 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4060733 1.00 ENPP2 (0.48) ENPP2CISD1KMT2AMEN1POLB
SCHEMBL4054938 0.88 KMT2A (0.40) ENPP2CISD1KMT2AMEN1POLB
SCHEMBL4054942 0.88 KMT2A (0.40) ENPP2CISD1KMT2AMEN1POLB
SCHEMBL4052876 0.86 PTPN1 (0.49) ENPP2CISD1POLBHPGDPTPN1
SCHEMBL4052873 0.86 PTPN1 (0.49) ENPP2CISD1POLBHPGDPTPN1
SCHEMBL4054941 0.83 HPGD (0.48) KMT2AMEN1MAPTHPGDPTPN1
SCHEMBL4054943 0.83 HPGD (0.48) KMT2AMEN1MAPTHPGDPTPN1
SCHEMBL4053340 0.80 PTPN1 (0.40) ENPP2HPGDPTPN1
SCHEMBL4053337 0.80 PTPN1 (0.40) ENPP2HPGDPTPN1
SCHEMBL4050515 0.80 HPGD (0.48) POLBHPGDPTPN1

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