SCHEMBL16627883

SCHEMBL16627883

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
PDE10A Q9Y233 1/20 0.40
NR1H2 P55055 1/20 0.39
POLB P06746 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
RXFP1 Q9HBX9 2/20 0.38
HTR4 Q13639 1/20 0.38
TP53 P04637 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
SCHEMBL16627881 0.90 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ECNR1CNR2PDE10A
SCHEMBL16627884 0.90 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ECNR1CNR2PDE10A
SCHEMBL16627882 0.87 KMT2A (0.43) SMN1; SMN2KDM4EMAPTRXFP1
SCHEMBL16627836 0.79 NR1H2 (0.42) KDM4ECNR1CNR2NR1H2LMNA
SCHEMBL16627837 0.78 NR1H2 (0.41) KDM4ECNR1CNR2NR1H2LMNA
SCHEMBL16627841 0.78 NR1H2 (0.41) KDM4ECNR1CNR2NR1H2LMNA
SCHEMBL16627833 0.78 TDP1 (0.50) SMN1; SMN2KDM4ELMNAHTTTDP1
SCHEMBL16627769 0.71 CNR1 (0.47) SMN1; SMN2CNR1CNR2
SCHEMBL16627697 0.71 CNR2 (0.49) KDM4ECNR1CNR2POLBMAPT

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