SCHEMBL4633907

SCHEMBL4633907

CCOC(=O)Oc1sc2ccccc2c1OCC(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
NOD2 Q9HC29 1/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL4632947 0.91 KMT2A (0.57) KMT2AALDH1A1NOD2LMNAMAPT
SCHEMBL4632948 0.91 KMT2A (0.56) KMT2AALDH1A1NOD2LMNAMAPT
SCHEMBL4632923 0.89 KMT2A (0.47) KMT2AALDH1A1NOD2LMNAMAPT
SCHEMBL4633564 0.89 LMNA (0.49) KMT2AALDH1A1NOD2LMNAMAPT
SCHEMBL4667233 0.85 ALDH1A1 (0.46) KMT2AALDH1A1NOD2LMNAMAPT
SCHEMBL4634476 0.85 RAB9A (0.47) KMT2AALDH1A1NOD2LMNAMAPT
SCHEMBL4635042 0.85 MAPT (0.50) KMT2AALDH1A1NOD2LMNAMAPT
SCHEMBL4633553 0.85 ALDH1A1 (0.60) KMT2AALDH1A1NOD2LMNAMAPT
SCHEMBL4633878 0.84 CXCR2 (0.46) KMT2AALDH1A1NOD2LMNAMAPT
SCHEMBL4633530 0.82 L3MBTL1 (0.60) KMT2AALDH1A1NOD2LMNAMAPT

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-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed