SCHEMBL16627884

SCHEMBL16627884

CCc1ccc(CNC(=O)c2cc3ccccc3n(C(=O)Cc3ccc(N)cc3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
PDE10A Q9Y233 1/20 0.40
NR1H2 P55055 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL16627714 0.91 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ECNR1CNR2PDE10A
SCHEMBL16627883 0.90 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ECNR1CNR2PDE10A
SCHEMBL16627881 0.90 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ECNR1CNR2PDE10A
SCHEMBL16627882 0.87 KMT2A (0.43) SMN1; SMN2KDM4EHPGDMAPTADORA2A
SCHEMBL16627836 0.79 NR1H2 (0.42) KDM4ECNR1CNR2NR1H2TP53
SCHEMBL16627841 0.78 NR1H2 (0.41) KDM4ECNR1CNR2NR1H2TP53
SCHEMBL16627837 0.78 NR1H2 (0.41) KDM4ECNR1CNR2NR1H2TP53
SCHEMBL16627833 0.78 TDP1 (0.50) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL16627697 0.71 CNR2 (0.49) KDM4ECNR1CNR2TP53POLB
SCHEMBL16236935 0.70 MAOB (0.55) SMN1; SMN2KDM4ECNR1CNR2TP53

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