SCHEMBL16627754

SCHEMBL16627754

CCc1ccc(C(=O)Nc2cccc3c2cc(C(=O)Nc2ccc(Cl)cc2)c(=O)n3C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
F10 P00742 2/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
AGTR1 P30556 1/20 0.47
AHR P35869 3/20 0.45
HDAC1 Q13547 1/20 0.45
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 1/20 0.43
ALOX15 P16050 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL16627803 0.93 F10 (0.47) RAB9AF10NPC1ALDH1A1GAA
SCHEMBL16627814 0.89 F10 (0.48) RAB9AF10NPC1ALDH1A1GAA
SCHEMBL16627656 0.87 F10 (0.47) RAB9AF10NPC1ALDH1A1GAA
SCHEMBL16627753 0.85 ABCG2 (0.51) RAB9AF10NPC1POLBMAPT
SCHEMBL16627880 0.83 HDAC1 (0.47) F10ALDH1A1POLBHDAC1MAPT
SCHEMBL16627824 0.82 MEN1 (0.47) NPC1ALDH1A1GAAPOLBAHR
SCHEMBL16627877 0.80 MAPT (0.47) F10ALDH1A1POLBHDAC1MAPT
SCHEMBL16627749 0.78 MEN1 (0.58) RAB9ANPC1LMNAPOLBMAPT
SCHEMBL19234504 0.75 NPC1 (0.72) RAB9ANPC1ALDH1A1GAALMNA
SCHEMBL13754018 0.75 NPC1 (0.72) RAB9ANPC1ALDH1A1GAALMNA

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed