SCHEMBL28787263

SCHEMBL28787263

c1ccc(-c2cccc(COc3ccc4ccccc4n3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
AGXT P21549 1/20 0.49
ADAMTS4 O75173 1/20 0.46
NR4A2 P43354 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.44
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
AKR1B1 P15121 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PDE10A Q9Y233 1/20 0.42
GABRG2 P18507 1/20 0.42

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
SCHEMBL28230139 0.88 CYP3A4 (0.55) CYSLTR1CYSLTR2ADAMTS4MEN1MAPT
SCHEMBL9485359 0.86 ADAMTS4 (0.57) CYSLTR1CYSLTR2AGXTADAMTS4MEN1
SCHEMBL1010648 0.86 MEN1 (0.53) CYSLTR1CYSLTR2ADAMTS4MEN1MAPT
SCHEMBL6089769 0.84 CYSLTR1 (0.53) CYSLTR1CYSLTR2ADAMTS4MEN1MAPT
SCHEMBL6627563 0.75 MEN1 (0.49) CYSLTR1CYSLTR2ADAMTS4MEN1MAPT
SCHEMBL27324326 0.74 MEN1 (0.59) CYSLTR1CYSLTR2MEN1MAPTKMT2A
SCHEMBL8621924 0.74 LMNA (0.50) CYSLTR1CYSLTR2ADAMTS4MEN1MAPT
SCHEMBL14763914 0.74 CYP3A4 (0.48) CYSLTR1CYSLTR2ADAMTS4MEN1KMT2A
SCHEMBL26771288 0.72 GPBAR1 (0.74) CYSLTR1NR4A2FFAR1GPBAR1AKR1B1
SCHEMBL6090607 0.72 MAPT (0.46) CYSLTR1CYSLTR2MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102060761-B Method for preparing quinoline UNIV ZHEJIANG 2012-10-17 CN disclosed
CN-102060761-A Method for preparing quinoline UNIV ZHEJIANG 2011-05-18 CN disclosed