SCHEMBL12873970

SCHEMBL12873970

COc1nccc(Cc2ccccc2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GRM2 Q14416 1/20 0.41
▸ PLA2G10 O15496 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ SLC13A5 Q86YT5 1/20 0.39
▸ SQOR Q9Y6N5 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CDC7 O00311 2/20 0.38
▸ CCNE1 P24864 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
SCHEMBL2098279 0.82 POLB (0.41) GRM2SLC13A5SQORPOLBCDC7
SCHEMBL28295740 0.80 PLA2G10 (0.45) ALDH1A1MAPTNPSR1USP2HPGD
SCHEMBL28790249 0.80 PLA2G10 (0.45) ALDH1A1MAPTNPSR1USP2HPGD
SCHEMBL16610961 0.78 LTA4H (0.41) MAPTHPGDSMN1; SMN2
SCHEMBL16611199 0.77 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1HPGDSLC13A5
SCHEMBL12794792 0.76 SQOR (0.36) ALDH1A1MAPTNPSR1USP2HPGD
SCHEMBL22397243 0.76 MAPT (0.42) ALDH1A1MAPTNPSR1USP2HPGD
SCHEMBL14247665 0.75 GLA (0.39) —
SCHEMBL6376093 0.74 KDM1A (0.50) SLC13A5CYP3A4CYP2C9
SCHEMBL5788308 0.72 PLA2G10 (0.44) ALDH1A1MAPTNPSR1USP2HPGD

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-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 — — WO disclosed
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