SCHEMBL16627880

SCHEMBL16627880

CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2c(NC(=O)c3ccc(CO)cc3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
MAPT P10636 6/20 0.46
TP53 P04637 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
P2RX7 Q99572 1/20 0.46
F10 P00742 1/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDR P35968 2/20 0.42
NHERF1 O14745 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL16627877 0.90 MAPT (0.47) HDAC1MAPTTP53POLBTDP1
SCHEMBL16627803 0.89 F10 (0.47) HDAC1MAPTTP53P2RX7F10
SCHEMBL16627749 0.87 MEN1 (0.58) MAPTTP53POLBTDP1P2RX7
SCHEMBL16627685 0.86 MEN1 (0.47) MAPTTP53POLBP2RX7F10
SCHEMBL16627754 0.83 RAB9A (0.49) HDAC1MAPTPOLBP2RX7F10
SCHEMBL16627823 0.83 NPY5R (0.47) MAPTTP53POLBTDP1P2RX7
SCHEMBL16627814 0.77 F10 (0.48) MAPTTP53POLBF10MEN1
SCHEMBL16627806 0.77 NHERF1 (0.49) MAPTTP53POLBF10MEN1
SCHEMBL16627656 0.76 F10 (0.47) MAPTPOLBF10MEN1ALDH1A1
SCHEMBL16627753 0.74 ABCG2 (0.51) MAPTPOLBF10MEN1KMT2A

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