SCHEMBL27568024

SCHEMBL27568024

CC(Br)c1ccc(F)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
GPR139 Q6DWJ6 1/20 0.34
PKM P14618 1/20 0.33
P2RX7 Q99572 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9072518 0.84 APLNR (0.39) APLNRGPR139PKMPSEN1PSEN2
SCHEMBL27899325 0.83 PSEN1 (0.34) APLNRPKMP2RX7PSEN1PSEN2
SCHEMBL1345761 0.81 PDE2A (0.43) APLNRGPR139
SCHEMBL6858040 0.81 APLNR (0.43) APLNRGPR139PKMCES2CES1
SCHEMBL2478679 0.81 APLNR (0.43) APLNRGPR139PKMCES2CES1
SCHEMBL17766971 0.81 PDE2A (0.43) APLNRGPR139
SCHEMBL7081498 0.81 PDE2A (0.43) APLNRGPR139
SCHEMBL3708094 0.81 APLNR (0.43) APLNRGPR139PKMCES2CES1
SCHEMBL30848143 0.81 APLNR (0.43) APLNRGPR139PKMCES2CES1
SCHEMBL29453752 0.80 CES2 (0.43) APLNRPSEN1PSEN2APH1BNCSTN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
CN-101679395-A triazolyl aminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
CN-101501005-A Arylaminoaryl-alkyl-substituted imidazolidine-2, 4-diones, processes for their preparation, medicaments comprising these compounds and their use SANOFI AVENTIS (FR) 2009-08-05 CN disclosed
CN-1319963-C Dihydrothiaphenanthrenecarbonylguanidines: composition, process of making, and use as medicament or diagnostic aid AVENTIS PHARMACEUTICAL GERMANY (DE) 2007-06-06 CN disclosed
CN-1630649-A Dihydrothiaphenanthrenecarbonylguanidines: composition, process of making, and use as medicament or diagnostic aid AVENTIS PHARMACEUTICAL GERMANY (DE) 2005-06-22 CN disclosed