SCHEMBL3403539

SCHEMBL3403539

CCc1cc2sc(C(=O)O)c(O)c2c(=O)n1CC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ THRB P10828 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMO Q99835 1/20 0.36
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL1062730 0.89 KMT2A (0.46) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3401272 0.86 LMNA (0.51) LMNAGPR35GAAMAPTTHRB
SCHEMBL1063259 0.85 MEN1 (0.43) LMNAGAAMAPTMEN1KMT2A
SCHEMBL1064330 0.79 KMT2A (0.45) LMNAGAAMAPTMEN1KMT2A
SCHEMBL1062879 0.78 KMT2A (0.47) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3426735 0.76 SMO (0.49) LMNAGPR35MEN1KMT2AALDH1A1
SCHEMBL10314589 0.75 KMT2A (0.41) LMNAGAAMAPTMEN1KMT2A
SCHEMBL10004581 0.73 SMO (0.49) LMNAGPR35MEN1KMT2AALDH1A1
SCHEMBL1061528 0.73 LMNA (0.47) LMNAGAAMAPTMEN1KMT2A
SCHEMBL1057594 0.72 LMNA (0.48) LMNAGAAMAPTMEN1KMT2A

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
Send feedback