SCHEMBL3401272

SCHEMBL3401272

Cc1cc2sc(C(=O)O)c(O)c2c(=O)n1CC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1062879 0.88 KMT2A (0.47) LMNAMAPTMEN1KMT2AGAA
SCHEMBL3403539 0.86 LMNA (0.39) LMNAGPR35MAPTMEN1KMT2A
SCHEMBL1057594 0.85 LMNA (0.48) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL10314541 0.84 LMNA (0.49) LMNAHSD17B10GPR35MAPTMEN1
SCHEMBL1061528 0.84 LMNA (0.47) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL10314579 0.78 LMNA (0.50) LMNAMAPTMEN1KMT2AGAA
SCHEMBL1061479 0.78 KMT2A (0.47) LMNAMAPTMEN1KMT2AGAA
SCHEMBL1062730 0.78 KMT2A (0.46) LMNAMAPTMEN1KMT2AGAA
SCHEMBL1061188 0.78 ALDH1A1 (0.47) LMNAHSD17B10MAPTMEN1KMT2A
SCHEMBL10314566 0.75 LMNA (0.47) LMNAHSD17B10MAPTMEN1KMT2A

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-2247588-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-11-10 — — EP disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — WO disclosed
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