SCHEMBL17347014

SCHEMBL17347014

CCOC(=O)c1cn(Cc2cccc(C)c2)c2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
LMNA P02545 3/20 0.56
P2RX3 P56373 1/20 0.56
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.52
CNR2 P34972 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
F2RL3 Q96RI0 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CHRM1 P11229 1/20 0.51

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
SCHEMBL17338605 0.91 P2RX3 (0.57) TP53LMNAP2RX3F2RL3TDP1
SCHEMBL18589488 0.90 LMNA (0.55) TP53LMNAP2RX3MAPTCNR2
SCHEMBL15956289 0.90 LMNA (0.70) TP53LMNAP2RX3ALDH1A1CNR2
SCHEMBL1549401 0.89 P2RX3 (0.61) TP53LMNAP2RX3MAPTALDH1A1
SCHEMBL13762896 0.88 MAPT (0.69) TP53LMNAP2RX3MAPTALDH1A1
SCHEMBL30125450 0.85 P2RX3 (0.61) TP53LMNAP2RX3MAPTCHRM1
SCHEMBL1073993 0.84 TP53 (0.77) TP53LMNAMAPTALDH1A1CNR2
SCHEMBL1549370 0.84 TP53 (0.69) TP53LMNAMAPTALDH1A1CNR2
SCHEMBL16341783 0.83 CNR2 (0.63) TP53LMNAP2RX3CNR2F2RL3
SCHEMBL11895496 0.83 P2RX3 (0.62) TP53LMNAP2RX3L3MBTL1F2RL3

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-2015189560-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2015-12-17 WO disclosed