SCHEMBL16627685

SCHEMBL16627685

O=C(Nc1cccc2c1cc(C(=O)Nc1ccc(Cl)cc1)c(=O)n2Cc1ccco1)c1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
TSHR P16473 4/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.45
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 4/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
NR3C1 P04150 1/20 0.41
F10 P00742 1/20 0.41
CTNNB1 P35222 1/20 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
SCHEMBL16627880 0.86 HDAC1 (0.47) MEN1KMT2AMAPTTP53P2RX7
SCHEMBL16627803 0.82 F10 (0.47) MEN1KMT2AMAPTTP53P2RX7
SCHEMBL16627877 0.76 MAPT (0.47) MEN1KMT2AMAPTTP53P2RX7
SCHEMBL16627754 0.75 RAB9A (0.49) MEN1KMT2AMAPTLMNAP2RX7
SCHEMBL16627749 0.73 MEN1 (0.58) MEN1KMT2AMAPTLMNATP53
SCHEMBL16627806 0.73 NHERF1 (0.49) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL16627814 0.71 F10 (0.48) MEN1KMT2AMAPTLMNATP53
SCHEMBL16627656 0.70 F10 (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL16627823 0.70 NPY5R (0.47) MEN1KMT2AMAPTTP53P2RX7
SCHEMBL16627753 0.69 ABCG2 (0.51) MEN1KMT2AMAPTPOLBF10

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