SCHEMBL16627576

SCHEMBL16627576

C=Cc1ccc(NC(=O)c2cc3c(NC(=O)Cc4ccc([N+](=O)[O-])cc4)cccc3n(CC3Cc4cccc(OC)c4C3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.43
KDM4E B2RXH2 2/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 2/20 0.35
KRAS P01116 1/20 0.35
POLB P06746 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL16627692 0.82 CNR1 (0.39) P2RX7CNR1CNR2THRB
SCHEMBL16627874 0.78 P2RX7 (0.41) P2RX7LMNAALDH1A1MAPTABCG2
SCHEMBL16627816 0.74 P2RX7 (0.48) P2RX7KDM4ELMNAALDH1A1MAPT
SCHEMBL16627681 0.73 NPY5R (0.45) P2RX7KDM4EALDH1A1MAPTKMT2A
SCHEMBL16627878 0.72 P2RX7 (0.49) P2RX7KDM4EALDH1A1MAPTKMT2A
SCHEMBL16627691 0.71 AHR (0.42) KMT2AMEN1POLB
SCHEMBL16627693 0.69 CNR1 (0.39) P2RX7MAPTCNR1CNR2
SCHEMBL16627588 0.69 AHR (0.41) P2RX7KDM4ELMNAALDH1A1KMT2A
SCHEMBL16627665 0.65 SMN1; SMN2 (0.51) P2RX7KDM4EALDH1A1KMT2AMEN1
SCHEMBL16627749 0.64 MEN1 (0.58) P2RX7LMNAMAPTABCG2KMT2A

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