SCHEMBL4632905

SCHEMBL4632905

CCOC(=O)Oc1sc2ccccc2c1OCc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
NOD2 Q9HC29 1/20 0.42
RAB9A P51151 1/20 0.41
SENP5 Q96HI0 8/20 0.41
SENP2 Q9HC62 8/20 0.41
SENP1 Q9P0U3 8/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 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
GABRA5 P31644 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
SCHEMBL4632951 0.89 FFAR1 (0.45) ALDH1A1KMT2ALMNANOD2SENP5
SCHEMBL4633948 0.88 KMT2A (0.54) ALDH1A1KMT2ALMNANOD2SENP5
SCHEMBL4632910 0.88 KMT2A (0.52) ALDH1A1KMT2ALMNANOD2SENP5
SCHEMBL4633952 0.88 CXCR2 (0.44) ALDH1A1KMT2ALMNANOD2GAA
SCHEMBL4633522 0.86 FFAR1 (0.46) ALDH1A1KMT2ALMNANOD2SENP5
SCHEMBL4634028 0.86 SENP5 (0.46) ALDH1A1KMT2ALMNANOD2SENP5
SCHEMBL4635042 0.86 MAPT (0.50) ALDH1A1KMT2ALMNANOD2SENP5
SCHEMBL4632917 0.85 KMT2A (0.56) ALDH1A1KMT2ALMNANOD2RAB9A
SCHEMBL4634479 0.83 SENP5 (0.49) ALDH1A1KMT2ALMNANOD2SENP5
SCHEMBL4634428 0.83 ALDH1A1 (0.43) ALDH1A1KMT2ALMNANOD2GAA

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