SCHEMBL4604636

SCHEMBL4604636

O=C(c1ccccc1)c1sc2ccccc2c1OCCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP5 Q96HI0 7/20 0.48
SENP2 Q9HC62 7/20 0.48
SENP1 Q9P0U3 7/20 0.48
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
CXCR2 P25025 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS2 P35354 1/20 0.41
PRNP P04156 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAD Q92934 1/20 0.41
MAPT P10636 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
SCHEMBL4603993 0.93 SENP5 (0.47) SENP5SENP2SENP1ALDH1A1CXCR2
SCHEMBL4603643 0.88 ALDH1A1 (0.46) SENP5SENP2SENP1ALDH1A1CXCR2
SCHEMBL4602975 0.88 CXCR2 (0.55) SENP5SENP2SENP1ALDH1A1NPSR1
SCHEMBL4604089 0.85 SENP5 (0.47) SENP5SENP2SENP1ALDH1A1NPSR1
SCHEMBL4604073 0.84 SENP2 (0.58) SENP5SENP2SENP1ALDH1A1KDM4E
SCHEMBL4604908 0.84 PPARA (0.48) SENP5SENP2SENP1ALDH1A1NPSR1
SCHEMBL4603697 0.83 SENP5 (0.48) SENP5SENP2SENP1ALDH1A1NPSR1
SCHEMBL4604994 0.83 PTPN1 (0.53) SENP5SENP2SENP1ALDH1A1NPSR1
SCHEMBL4605712 0.83 PPARA (0.47) SENP5SENP2SENP1ALDH1A1NPSR1
SCHEMBL4603395 0.82 FFAR1 (0.53) CXCR2LMNAMAOBL3MBTL1

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-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed