SCHEMBL12096453

SCHEMBL12096453

O=C(O)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ GAA P10253 1/20 0.66
▸ ATM Q13315 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ RAB9A P51151 2/20 0.60
▸ BLM P54132 1/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ PDK1 Q15118 1/20 0.59
▸ PDK2 Q15119 1/20 0.59
▸ PDK3 Q15120 1/20 0.59
▸ PDK4 Q16654 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ KCNK3 O14649 1/20 0.58
▸ KCNK9 Q9NPC2 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ EGFR P00533 1/20 0.56
▸ PIK3CA P42336 1/20 0.56

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
SCHEMBL28216488 0.88 KCNK3 (0.62) L3MBTL1GAATDP1RAB9ABLM
SCHEMBL7745302 0.87 KCNK3 (0.79) L3MBTL1GAATDP1RAB9ABLM
SCHEMBL11031257 0.85 ALDH1A1 (0.71) L3MBTL1GAAATMTDP1RAB9A
SCHEMBL11015498 0.85 L3MBTL1 (0.64) L3MBTL1GAAATMTDP1RAB9A
SCHEMBL23932088 0.84 KMT2A (0.66) L3MBTL1RAB9ACA2KCNK3KCNK9
SCHEMBL4102809 0.82 KMT2A (0.73) TDP1RAB9ANPSR1ALDH1A1LMNA
SCHEMBL14982062 0.82 MAPK13 (0.74) L3MBTL1GAAATMTDP1RAB9A
SCHEMBL5354517 0.82 L3MBTL1 (0.60) L3MBTL1GAAATMTDP1RAB9A
SCHEMBL24166608 0.82 L3MBTL1 (0.65) L3MBTL1GAAATMTDP1RAB9A
SCHEMBL27497992 0.82 RAB9A (0.74) L3MBTL1RAB9APDK1PDK2PDK3

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
EP-2496581-A1 CONDENSED AZEPINE DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 — — EP disclosed
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