SCHEMBL16627606

SCHEMBL16627606

COc1ccc(Cn2c(=O)ccc3c(N)cccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.59
KMT2A Q03164 3/20 0.50
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
PDE5A O76074 1/20 0.48
MEN1 O00255 2/20 0.44
GABRA5 P31644 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
CMA1 P23946 1/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL13737524 0.84 P2RX4 (0.59) P2RX4KMT2AHDAC1SMN1; SMN2POLB
SCHEMBL16627618 0.84 P2RX4 (0.55) P2RX4KMT2AHDAC1SMN1; SMN2POLB
SCHEMBL16627617 0.80 DCTPP1 (0.60) P2RX4KMT2ASMN1; SMN2POLBGAA
SCHEMBL16627570 0.77 P2RX7 (0.52) P2RX4KMT2AHDAC1POLBGAA
SCHEMBL25252402 0.75 P2RX4 (0.51) P2RX4KMT2ASMN1; SMN2POLBGAA
SCHEMBL14160793 0.75 P2RX4 (1.00) P2RX4KMT2ASMN1; SMN2POLBGAA
SCHEMBL30557006 0.74 P2RX4 (0.67) P2RX4KMT2AHDAC1SMN1; SMN2POLB
SCHEMBL24138327 0.74 PDE5A (0.54) P2RX4KMT2ASMN1; SMN2POLBGAA
SCHEMBL31138328 0.74 PDE5A (0.54) P2RX4KMT2ASMN1; SMN2POLBGAA
SCHEMBL18356958 0.74 P2RX4 (0.82) P2RX4KMT2ASMN1; SMN2POLBGAA

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