SCHEMBL13281184

SCHEMBL13281184

COCCNC(=O)c1cccc(N)c1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ PTGS2 P35354 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ USP2 O75604 1/20 0.45

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
SCHEMBL30223440 0.86 ALDH1A1 (0.68) HPGDALDH1A1MAPK1HSD17B10TP53
SCHEMBL2546081 0.86 ALDH1A1 (0.68) HPGDALDH1A1MAPK1HSD17B10TP53
SCHEMBL28539525 0.81 ALDH1A1 (0.49) HPGDALDH1A1MAPK1HSD17B10TP53
SCHEMBL15630971 0.78 KEAP1 (0.49) HPGDALDH1A1MAPK1HSD17B10TP53
SCHEMBL15519416 0.78 MAPK1 (0.54) HPGDALDH1A1MAPK1HSD17B10TP53
SCHEMBL13161949 0.78 HPGD (0.65) HPGDALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL17194920 0.77 HPGD (0.64) HPGDALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL9078373 0.77 TSHR (0.65) HPGDALDH1A1MAPK1HSD17B10TP53
SCHEMBL14802012 0.76 MAPK1 (0.63) HPGDALDH1A1MAPK1HSD17B10TP53
SCHEMBL17748294 0.76 ALOX5 (0.68) HPGDALDH1A1MAPK1HSD17B10POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697198-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 — — EP disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 — — WO disclosed
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