SCHEMBL3345534

SCHEMBL3345534

COC(=O)Cc1cc(C)cc2c1c(C)c(Cc1ccc(Cl)cc1)c(=O)n2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
P2RX3 P56373 5/20 0.42
PLA2G2A P14555 3/20 0.42
DRD2 P14416 2/20 0.40
TBXA2R P21731 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3345040 0.92 PTGDR2 (0.39) KDM4EPTGDR2P2RX3PLA2G2ALMNA
SCHEMBL3345114 0.91 PTGDR2 (0.53) KDM4EPTGDR2P2RX3PLA2G2ALMNA
SCHEMBL3346140 0.85 PTGDR2 (0.38) KDM4EPTGDR2P2RX3LMNAALDH1A1
SCHEMBL3344376 0.82 PLA2G2A (0.55) PTGDR2P2RX3PLA2G2ALMNAHTT
SCHEMBL3345462 0.81 PLA2G2A (0.45) KDM4EPTGDR2P2RX3PLA2G2ALMNA
SCHEMBL3344745 0.81 PTGDR2 (0.48) KDM4EPTGDR2P2RX3PLA2G2ALMNA
SCHEMBL3348106 0.76 PTGDR2 (0.49) KDM4EPTGDR2P2RX3PLA2G2ALMNA
SCHEMBL3344656 0.75 TP53 (0.41) KDM4EPTGDR2LMNAALDH1A1HPGD
SCHEMBL5328927 0.75 PTGDR2 (0.64) KDM4EPTGDR2ALDH1A1HPGDMAPT
SCHEMBL3775770 0.73 PLA2G2A (0.45) KDM4EPLA2G2ALMNAALDH1A1HPGD

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-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed