SCHEMBL4054034

SCHEMBL4054034

O=C1N=C(Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)SC1=Cc1ccc(COc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
HPGD P15428 4/20 0.42
PTPN1 P18031 4/20 0.42
POLB P06746 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
AR P10275 6/20 0.40
ENPP2 Q13822 2/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4054032 1.00 ALOX5 (0.46) ALOX5HPGDPTPN1POLBMAOA
SCHEMBL4052873 0.92 PTPN1 (0.49) ALOX5HPGDPTPN1POLBMAOA
SCHEMBL4052876 0.92 PTPN1 (0.49) ALOX5HPGDPTPN1POLBMAOA
SCHEMBL4052922 0.91 ALOX5 (0.52) ALOX5HPGDPTPN1ARENPP2
SCHEMBL4054941 0.91 HPGD (0.48) ALOX5HPGDPTPN1RAB9A
SCHEMBL4052918 0.91 ALOX5 (0.52) ALOX5HPGDPTPN1ARENPP2
SCHEMBL4054943 0.91 HPGD (0.48) ALOX5HPGDPTPN1RAB9A
SCHEMBL4050517 0.91 HPGD (0.48) ALOX5HPGDPTPN1POLBMAOA
SCHEMBL4050515 0.91 HPGD (0.48) ALOX5HPGDPTPN1POLBMAOA
SCHEMBL4058075 0.90 PTPN1 (0.45) ALOX5HPGDPTPN1POLBMAOA

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