SCHEMBL20076960

SCHEMBL20076960

COc1cc(C)ccc1OCc1cccc(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.60
AR P10275 2/20 0.51
HTR6 P50406 2/20 0.50
SLC6A4 P31645 2/20 0.49
GRM5 P41594 1/20 0.46
PLK1 P53350 1/20 0.46
MAOB P27338 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CSF1R P07333 1/20 0.45
KIT P10721 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL31568445 0.86 MRGPRX4 (0.76) MRGPRX4HTR6SLC6A4GRM5MAOB
SCHEMBL22469778 0.86 MRGPRX4 (0.76) MRGPRX4HTR6SLC6A4GRM5MAOB
SCHEMBL13929791 0.84 MAOB (0.59) MRGPRX4MAOBHTR1AADRA1DADRA1A
SCHEMBL3490042 0.80 MAOB (0.57) MRGPRX4ARMAOBHTR1AADRA1D
SCHEMBL13232461 0.80 GRM5 (0.62) MRGPRX4HTR6GRM5MAOB
SCHEMBL171847 0.79 NPC1 (0.58) HTR1AADRA1DADRA1AADRA1BHPGD
SCHEMBL23235862 0.79 AR (0.55) MRGPRX4ARSLC6A4CSF1RNPC1
SCHEMBL12864874 0.79 MAOB (0.56) MRGPRX4MAOBHTR1AADRA1DADRA1A
SCHEMBL12112551 0.78 SMN1; SMN2 (0.56) MRGPRX4SLC6A4PLK1HPGDNPC1
SCHEMBL4204671 0.78 MRGPRX4 (0.67) MRGPRX4ARHTR6SLC6A4GRM5

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-2018071348-A1 QUINOXALINE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2018-04-19 WO disclosed