SCHEMBL4633522

SCHEMBL4633522

CCOC(=O)Oc1sc2ccccc2c1OCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
AKR1B1 P15121 1/20 0.46
PTPN1 P18031 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOD2 Q9HC29 1/20 0.38
SENP5 Q96HI0 7/20 0.37
SENP2 Q9HC62 7/20 0.37
SENP1 Q9P0U3 7/20 0.37
USP2 O75604 1/20 0.37
ESR2 Q92731 1/20 0.37
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
CTSA P10619 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
SCHEMBL4634471 0.87 KMT2A (0.50) FFAR1AKR1B1PTPN1EGLN1LMNA
SCHEMBL4632905 0.86 ALDH1A1 (0.43) LMNAALDH1A1KMT2AGAAMAPT
SCHEMBL4634428 0.84 ALDH1A1 (0.43) FFAR1LMNAALDH1A1KMT2AGAA
SCHEMBL4633948 0.83 KMT2A (0.54) LMNAALDH1A1KMT2AGAAMAPT
SCHEMBL4632910 0.83 KMT2A (0.52) LMNAALDH1A1KMT2AGAAMAPT
SCHEMBL4633605 0.81 FFAR1 (0.53) FFAR1AKR1B1PTPN1EGLN1ALDH1A1
SCHEMBL4635042 0.81 MAPT (0.50) LMNAALDH1A1KMT2AGAAMAPT
SCHEMBL4634028 0.81 SENP5 (0.46) LMNAALDH1A1KMT2AGAAMAPT
SCHEMBL4632951 0.80 FFAR1 (0.45) FFAR1LMNAALDH1A1KMT2AGAA
SCHEMBL4633910 0.79 ALDH1A1 (0.47) FFAR1LMNAALDH1A1KMT2AGAA

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