SCHEMBL16627690

SCHEMBL16627690

C=Cc1ccc(NC(=O)c2cc3c(NC(=O)Cc4ccc(O)cc4)cccc3[nH]c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
PARP14 Q460N5 9/20 0.40
MAOB P27338 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NLRP3 Q96P20 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL16627828 0.88 PARP14 (0.52) RXFP1PARP14KDM4EALDH1A1HPGD
SCHEMBL16627691 0.80 AHR (0.42) RXFP1MAOBCYP2C9TRPV1NLRP3
SCHEMBL16627678 0.80 PARP14 (0.52) RXFP1PARP14KDM4EALDH1A1HPGD
SCHEMBL16627681 0.80 NPY5R (0.45) RXFP1KDM4EALDH1A1HPGDMEN1
SCHEMBL16627760 0.79 CCNA2 (0.45) RXFP1PARP14KDM4EALDH1A1CYP2C9
SCHEMBL16627876 0.79 RXFP1 (0.44) RXFP1MAOBKDM4EMEN1KMT2A
SCHEMBL16627890 0.78 PARP14 (0.56) RXFP1PARP14KDM4EALDH1A1CYP2C9
SCHEMBL16627592 0.76 MT-CO2 (0.44) PARP14KDM4EALDH1A1NLRP3MEN1
SCHEMBL16627692 0.75 CNR1 (0.39) RXFP1MAOBBCHEACHE
SCHEMBL16627588 0.73 AHR (0.41) RXFP1MAOBKDM4EALDH1A1HPGD

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