SCHEMBL4048862

SCHEMBL4048862

CC(C)COc1ccc(COc2ccc(C=C3SC(Nc4ccc(NS(=O)(=O)C(F)(F)F)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTPN1 P18031 5/20 0.40
ALOX5 P09917 3/20 0.40
HPGD P15428 7/20 0.38
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
AR P10275 2/20 0.35
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4048856 1.00 MEN1 (0.41) MEN1MAPTKMT2ANPC1SMN1; SMN2
SCHEMBL4057139 0.93 PTPN1 (0.40) MEN1MAPTKMT2ANPC1SMN1; SMN2
SCHEMBL4057137 0.93 PTPN1 (0.40) MEN1MAPTKMT2ANPC1SMN1; SMN2
SCHEMBL4050710 0.92 ALOX5 (0.41) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4059814 0.92 ALOX5 (0.41) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4050707 0.92 ALOX5 (0.41) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4059813 0.92 ALOX5 (0.41) PTPN1ALOX5HPGDPOLBMAOA
SCHEMBL4054941 0.91 HPGD (0.48) MEN1MAPTKMT2APTPN1ALOX5
SCHEMBL4054943 0.91 HPGD (0.48) MEN1MAPTKMT2APTPN1ALOX5
SCHEMBL4050515 0.91 HPGD (0.48) PTPN1ALOX5HPGDPOLBMAOA

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