SCHEMBL9874333

SCHEMBL9874333

CCCCCOc1ccc(C#Cc2ccc(F)nc2)cc1.CCCCOc1ccc(C#Cc2ccc(F)nc2)cc1.CCCCc1ccc(C#Cc2ccc(Cl)nc2)cc1.CCCOc1ccc(C#Cc2ccc(F)nc2)cc1.CCCc1ccc(C#Cc2ccc(Cl)nc2)cc1.CCOc1ccc(C#Cc2ccc(F)nc2)cc1.CCc1ccc(C#Cc2ccc(Cl)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
ACACB O00763 8/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL9874466 0.84 SPHK1 (0.38) L3MBTL1RAB9AMAPT
SCHEMBL9874452 0.84 SPHK1 (0.38) L3MBTL1RAB9AMAPT
SCHEMBL9874416 0.83 KDM4E (0.45) FFAR1ACACBL3MBTL1RAB9AMAPT
SCHEMBL9766645 0.82 FFAR1 (0.52) FFAR1ACACBL3MBTL1RAB9AMAPT
SCHEMBL9766678 0.81 HSD17B10 (0.42) FFAR1RAB9AMAPTALDH1A1KDM4E
SCHEMBL9156078 0.78 KDM4E (0.50) ACACBL3MBTL1RAB9AALDH1A1KDM4E
SCHEMBL9160932 0.78 KDM4E (0.50) FFAR1ACACBL3MBTL1RAB9AALDH1A1
SCHEMBL9159057 0.76 FFAR1 (0.61) FFAR1ACACBL3MBTL1MAPTALDH1A1
SCHEMBL9158558 0.76 GRM5 (0.46) FFAR1ACACBL3MBTL1RAB9AMAPT
SCHEMBL9766618 0.75 HSD17B10 (0.44) FFAR1ACACBL3MBTL1RAB9AMAPT

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-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed