SCHEMBL5134535

SCHEMBL5134535

COCCNCc1ccc2[nH]c(-c3ccc(Cl)c4c[nH]cc34)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
FFAR1 O14842 9/20 0.39
PPARG P37231 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
RAD52 P43351 1/20 0.34
PAX8 Q06710 1/20 0.34
HTR2A P28223 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 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
SCHEMBL5134533 0.86 FFAR1 (0.43) FFAR1PPARG
SCHEMBL5043948 0.86 FFAR1 (0.40) FFAR1PPARG
SCHEMBL5046975 0.84 FFAR1 (0.41) FFAR1PPARGALDH1A1
SCHEMBL5043913 0.82 FFAR1 (0.41) FFAR1PPARGALDH1A1
SCHEMBL5132461 0.78 PRMT5 (0.42) FFAR1PPARGHTT
SCHEMBL3040020 0.77 AURKA (0.42) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL5134536 0.76 VSIR (0.43) FFAR1PPARGALDH1A1
SCHEMBL5079421 0.73 KDR (0.58) ALDH1A1
SCHEMBL5133476 0.71 HPGD (0.50) FFAR1HTTALDH1A1
SCHEMBL14286557 0.69 L3MBTL1 (0.52) L3MBTL1HTTRAD52PAX8ALDH1A1

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
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed