SCHEMBL16627749

SCHEMBL16627749

CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)cccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
MAPT P10636 6/20 0.58
ABCG2 Q9UNQ0 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
HDAC6 Q9UBN7 1/20 0.47
CD40 P25942 1/20 0.47
CD40LG P29965 1/20 0.47
P2RX7 Q99572 1/20 0.46
POLB P06746 3/20 0.46
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
KDR P35968 1/20 0.45
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
P2RY2 P41231 1/20 0.44
GPR17 Q13304 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL16627753 0.89 ABCG2 (0.51) MEN1KMT2AMAPTABCG2HDAC6
SCHEMBL16627877 0.88 MAPT (0.47) MEN1KMT2AMAPTP2RX7POLB
SCHEMBL16627880 0.87 HDAC1 (0.47) MEN1KMT2AMAPTP2RX7POLB
SCHEMBL16627754 0.78 RAB9A (0.49) MEN1KMT2AMAPTABCG2L3MBTL1
SCHEMBL16627585 0.78 MEN1 (0.52) MEN1KMT2AMAPTABCG2HDAC6
SCHEMBL16627823 0.77 NPY5R (0.47) MEN1KMT2AMAPTP2RX7POLB
SCHEMBL16627803 0.76 F10 (0.47) MEN1KMT2AMAPTP2RX7NPC1
SCHEMBL16627814 0.75 F10 (0.48) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL16627656 0.74 F10 (0.47) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL4727871 0.74 MAPT (1.00) MEN1KMT2AMAPTL3MBTL1POLB

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