SCHEMBL16627835

SCHEMBL16627835

CSc1ccc(Cn2c(=O)c(C(=O)NCc3ccc(O)cc3)cc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.48
CNR2 P34972 5/20 0.48
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
F10 P00742 2/20 0.42
KLKB1 P03952 2/20 0.41

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
SCHEMBL16627696 0.76 LMNA (0.49) CNR1CNR2TP53RXFP1MEN1
SCHEMBL16627769 0.74 CNR1 (0.47) CNR1CNR2MEN1KMT2AF10
SCHEMBL16627714 0.73 SMN1; SMN2 (0.43) CNR1CNR2MEN1KMT2AL3MBTL1
SCHEMBL16627773 0.72 NR2F2 (0.50) CNR1CNR2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9356133 0.71 CNR1 (0.54) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL16236935 0.70 MAOB (0.55) CNR1CNR2TP53MEN1KMT2A
SCHEMBL16627770 0.69 KMT2A (0.57) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL30884510 0.69 CCR2 (0.66) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL11536101 0.69 CCR2 (0.66) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL16627834 0.69 KMT2A (0.53) CNR1CNR2TP53MEN1KMT2A

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