SCHEMBL16627803

SCHEMBL16627803

Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2c(NC(=O)c3ccc(CO)cc3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
AHR P35869 3/20 0.45
HDAC1 Q13547 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
NHERF1 O14745 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
THRB P10828 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
DNM2 P50570 1/20 0.41
P2RX7 Q99572 1/20 0.41
RAB9A P51151 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
SCHEMBL16627754 0.93 RAB9A (0.49) F10AHRHDAC1MEN1KMT2A
SCHEMBL16627880 0.89 HDAC1 (0.47) F10HDAC1MEN1KMT2AMAPT
SCHEMBL16627814 0.89 F10 (0.48) F10AHRMEN1KMT2AMAPT
SCHEMBL16627656 0.87 F10 (0.47) F10AHRMEN1KMT2AMAPT
SCHEMBL16627753 0.85 ABCG2 (0.51) F10MEN1KMT2AMAPTNPC1
SCHEMBL16627824 0.82 MEN1 (0.47) AHRMEN1KMT2AMAPTNPC1
SCHEMBL16627685 0.82 MEN1 (0.47) F10MEN1KMT2AMAPTKDM4E
SCHEMBL16627806 0.79 NHERF1 (0.49) F10MEN1KMT2AMAPTGAA
SCHEMBL16627877 0.79 MAPT (0.47) F10HDAC1MEN1KMT2AMAPT
SCHEMBL16627749 0.76 MEN1 (0.58) MEN1KMT2AMAPTNPC1TP53

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