SCHEMBL4048783

SCHEMBL4048783

CC(C)c1ccc(CN(C)c2ccc(/C=C3\SC(Nc4ccc(NS(=O)(=O)C(F)(F)F)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
PIM1 P11309 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
TNNC1 P63316 1/20 0.33
MYC P01106 2/20 0.32
MAX P61244 2/20 0.32
PRMT6 Q96LA8 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALOX5 P09917 1/20 0.31
IDE P14735 1/20 0.31
ACKR3 P25106 1/20 0.30
CCR5 P51681 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL4048785 1.00 HTT (0.37) HTTPIM1MEN1NPC1KMT2A
SCHEMBL4055993 0.91 PTGDR2 (0.36) HTTPIM1MEN1NPC1KMT2A
SCHEMBL4055996 0.91 PTGDR2 (0.36) HTTPIM1MEN1NPC1KMT2A
SCHEMBL4052695 0.85 MEN1 (0.34) MEN1NPC1KMT2ATNNI3TNNT2
SCHEMBL4052690 0.85 MEN1 (0.34) MEN1NPC1KMT2ATNNI3TNNT2
SCHEMBL4050710 0.84 ALOX5 (0.41) HTTALOX5
SCHEMBL4050707 0.84 ALOX5 (0.41) HTTALOX5
SCHEMBL4059814 0.84 ALOX5 (0.41) HTTALOX5
SCHEMBL4059813 0.84 ALOX5 (0.41) HTTALOX5
SCHEMBL4053974 0.77 PTPN1 (0.39) MEN1NPC1KMT2ARAB9AMYC

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