SCHEMBL4051735

SCHEMBL4051735

O=Cc1ccc(CC2CNc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3B P49841 1/20 0.35
HTR6 P50406 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
AKT1 P31749 1/20 0.32
PAX8 Q06710 1/20 0.32
HRH2 P25021 1/20 0.32
OPRM1 P35372 1/20 0.32
HTR2B P41595 1/20 0.32
TACR2 P21452 1/20 0.31

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
SCHEMBL16398773 0.85 MAOA (0.38) CCKBRMEN1KMT2AALDH1A1AKT1
SCHEMBL22455608 0.82 MEN1 (0.47) CCKBRMEN1KMT2A
SCHEMBL38655898 0.80 MEN1 (0.39) CCKBRMEN1KMT2AHTR6MAPT
SCHEMBL5871195 0.80 LMNA (0.40) CCKBRMEN1KMT2AHTR6TACR2
SCHEMBL4057480 0.80 PAX8 (0.39) CCKBRMEN1KMT2AGSK3BHTR6
SCHEMBL4052811 0.77 MYC (0.56) MEN1KMT2ARAB9A
SCHEMBL5871406 0.77 PAX8 (0.53) MEN1KMT2APAX8
SCHEMBL1688323 0.74 CCKBR (0.42) CCKBRMEN1KMT2AAKT1HRH2
SCHEMBL4053230 0.73 MYC (0.57) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4049317 0.72 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1MAPTKDM4E

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