SCHEMBL16627876

SCHEMBL16627876

C=Cc1ccc(C(=O)Nc2cccc3[nH]c(=O)c(C(=O)Nc4ccc(Br)cc4)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.44
BRAF P15056 1/20 0.43
TP53 P04637 4/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
BRD4 O60885 1/20 0.40
MAOB P27338 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL16627818 0.88 RXFP1 (0.53) RXFP1BRAFTP53MMP2MMP9
SCHEMBL16627879 0.87 MAPT (0.51) RXFP1BRAFTP53MAPTKDM4E
SCHEMBL16627819 0.80 BRD4 (0.54) RXFP1MAPTMEN1KMT2ABRD4
SCHEMBL16627690 0.79 RXFP1 (0.40) RXFP1MAPTKDM4EMEN1KMT2A
SCHEMBL16627806 0.76 NHERF1 (0.49) RXFP1TP53MAPTKDM4EMEN1
SCHEMBL16627766 0.74 NPC1 (0.49) MEN1KMT2AMAOBRAB9ANPC1
SCHEMBL16627585 0.74 MEN1 (0.52) RXFP1MAPTKDM4EMEN1KMT2A
SCHEMBL16627635 0.74 KMT2A (0.38) RXFP1TP53MAPTKDM4EMEN1
SCHEMBL16627875 0.71 ADORA3 (0.53) RXFP1TP53MMP2MMP9MMP8
SCHEMBL26417175 0.69 MEN1 (0.57) TP53MAPTKDM4EMEN1KMT2A

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