SCHEMBL22109247

SCHEMBL22109247

Nc1ccc(C#Cc2ccc(Br)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
APP P05067 5/20 0.48
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
DGAT1 O75907 1/20 0.36
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
GRM5 P41594 2/20 0.33
NR3C2 P08235 1/20 0.32

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
SCHEMBL27214759 0.83 ACACB (0.46) ACACBALDH1A1ALOX15KMT2AFFAR1
SCHEMBL9050378 0.83 ACACB (0.49) ACACBFFAR1FFAR4GRM5
SCHEMBL5139851 0.82 FFAR1 (0.51) ACACBAPPMAPTALDH1A1KDM4E
SCHEMBL18763460 0.79 APP (0.60) ACACBAPPMAPTALDH1A1ALOX15
SCHEMBL8645459 0.78 ACACB (0.45) ACACBFFAR1FFAR4GRM5NR3C2
SCHEMBL8978813 0.76 ACACB (0.56) ACACBFFAR1FFAR4
SCHEMBL8619878 0.76 ACACB (0.46) ACACBMAPTALDH1A1MAPK1FFAR1
SCHEMBL14141581 0.74 ACACB (0.54) ACACBALDH1A1KDM4EMEN1KMT2A
SCHEMBL13299891 0.74 APP (0.61) APPMAPTALDH1A1ALOX15MAPK1
SCHEMBL8978802 0.73 ACACB (0.53) ACACBALDH1A1KDM4EFFAR1FFAR4

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-2020120586-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-06-18 WO disclosed