SCHEMBL4634993

SCHEMBL4634993

CCOC(=O)Oc1sc2ccccc2c1OCc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
NOD2 Q9HC29 1/20 0.45
MAPT P10636 7/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41

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
SCHEMBL4635042 0.85 MAPT (0.50) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4634000 0.85 ALDH1A1 (0.43) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4632910 0.85 KMT2A (0.52) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4633978 0.84 LMNA (0.60) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4633948 0.83 KMT2A (0.54) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4634028 0.81 SENP5 (0.46) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4634479 0.81 SENP5 (0.49) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4633878 0.80 CXCR2 (0.46) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4633910 0.79 ALDH1A1 (0.47) KMT2AALDH1A1LMNANOD2MAPT
SCHEMBL4667132 0.79 ALDH1A1 (0.44) KMT2AALDH1A1LMNANOD2MAPT

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