SCHEMBL16627760

SCHEMBL16627760

O=Nc1ccc(NC(=O)c2cc3c(NC(=O)Cc4ccc(F)cc4)cccc3[nH]c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
GAA P10253 2/20 0.44
CASP3 P42574 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP14 Q460N5 4/20 0.41
RXFP1 Q9HBX9 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 3/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL16627828 0.81 PARP14 (0.52) GAAKDM4EMEN1KMT2APARP14
SCHEMBL16627678 0.81 PARP14 (0.52) GAAKDM4EMEN1KMT2APARP14
SCHEMBL16627710 0.79 KMT2A (0.52) GAAKDM4EMEN1KMT2APARP14
SCHEMBL16627690 0.79 RXFP1 (0.40) GAAKDM4EMEN1KMT2APARP14
SCHEMBL16627890 0.79 PARP14 (0.56) KDM4EMEN1KMT2AHSD17B10PARP14
SCHEMBL16627680 0.75 PARP14 (0.48) GAACASP3KDM4EMEN1KMT2A
SCHEMBL16627688 0.73 MAPT (0.50) GAAKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL16627650 0.71 AHR (0.56) GAACASP3KDM4EMEN1KMT2A
SCHEMBL16627806 0.70 NHERF1 (0.49) GAAKDM4EMEN1KMT2ARXFP1
SCHEMBL16627588 0.70 AHR (0.41) KDM4EMEN1KMT2ARXFP1ALDH1A1

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