SCHEMBL9306754

SCHEMBL9306754

O=[C]c1ccc2nc(C(=O)c3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ MGAM O43451 1/20 0.51
▸ HSD17B14 Q9BPX1 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 4/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL1343443 0.82 CNR2 (0.78) CNR2KDM4EMGAMHSD17B14HDAC8
SCHEMBL13475581 0.79 CNR2 (0.64) CNR2KDM4EMGAMHSD17B14HDAC8
SCHEMBL13475583 0.73 CNR2 (0.55) CNR2KDM4EMGAMHSD17B14HDAC8
SCHEMBL7832199 0.72 CNR2 (1.00) CNR2KDM4EMGAMHSD17B14HDAC8
SCHEMBL9755314 0.72 MGAM (0.63) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL30227109 0.72 CNR2 (1.00) CNR2KDM4EMGAMHSD17B14HDAC8
SCHEMBL13475582 0.71 KDM4E (1.00) CNR2KDM4EMGAMHSD17B14HDAC8
SCHEMBL13475587 0.71 CNR2 (0.72) CNR2KDM4EMGAMHSD17B14HDAC8
SCHEMBL27838449 0.70 CNR2 (0.96) CNR2KDM4EMGAMHSD17B14HDAC8
SCHEMBL69325 0.70 CES2 (0.43) MAPTALDH1A1RAB9ANPC1

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
US-5292737-A Inhibit protein kinase activity; antiinflammatory/antitumor agents; treatment for cardiovascular disorders SPHINX PHARMACEUTICALS CORPORATION (US) 1994-03-08 — — US disclosed
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