SCHEMBL4781706

SCHEMBL4781706

ClCc1cccnc1-c1cccnn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
CASP6 P55212 1/20 0.35
HTR2C P28335 3/20 0.34
GRM5 P41594 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
TP53 P04637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4782258 0.81 KDM4E (0.48) DPP4TP53KDM4ELMNAALDH1A1
SCHEMBL14722613 0.75 TGFBR1 (0.48) GRM5CCR1CCR8
SCHEMBL4781710 0.74 KDM4E (0.43) GPR84TP53KDM4ELMNAALDH1A1
SCHEMBL4600287 0.72 KCNA5 (0.43) DPP4ALDH1A1ALOX15HTTHSD17B10
SCHEMBL8893378 0.72 CDC25B (0.36) HTR2CGRM5TP53KDM4ELMNA
SCHEMBL17456048 0.70 CYP11B1 (0.44) DPP4KDM4ELMNANPC1RAB9A
SCHEMBL4592340 0.69 KDM4E (0.41) DPP4KDM4ELMNAALDH1A1HPGD
SCHEMBL2008558 0.69
SCHEMBL1456807 0.68 GOT1 (0.46) CASP6HTR2CGRM5HTR2AHTR2B
SCHEMBL30792004 0.68 GOT1 (0.46) CASP6HTR2CGRM5HTR2AHTR2B

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-2008034579-A1 2-HETEROCYCLYL-5-PHENOXYMETHYLPYRIDINE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed