SCHEMBL7514724

SCHEMBL7514724

CC(c1ccc2cc(OCc3ccccc3F)ccc2c1)C1NC(=O)SC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.45
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
MAOB P27338 4/20 0.41
PTPN2 P17706 6/20 0.39
CDC25B P30305 6/20 0.39
SCN3A Q9NY46 2/20 0.39
SCN9A Q15858 1/20 0.37
KCNH2 Q12809 1/20 0.37
PTPN6 P29350 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL305465 0.76 PTPN1 (0.53) PTPN1PARP15PARP10MAOBPTPN2
SCHEMBL8877502 0.69 PARP10 (0.58) PTPN1PARP15PARP10MAOBPTPN2
SCHEMBL7635956 0.68 PTPN1 (0.45) PTPN1PARP15PARP10MAOBPTPN2
SCHEMBL12443168 0.68 PTPN1 (0.53) PTPN1PARP15PARP10MAOBPTPN2
SCHEMBL15132934 0.67 MAOB (0.59) PARP15PARP10MAOBSCN3ASCN9A
SCHEMBL8876327 0.67 HDAC4 (0.58) PTPN1MAOB
SCHEMBL8876321 0.67 HDAC4 (0.58) PTPN1MAOB
Netoglitazone SCHEMBL142658 0.67 FFAR1 (0.55) PTPN1PARP15PARP10PTPN2CDC25B
Netoglitazone SCHEMBL20125595 0.67 FFAR1 (0.55) PTPN1PARP15PARP10PTPN2CDC25B
Netoglitazone SCHEMBL29355960 0.67 FFAR1 (0.55) PTPN1PARP15PARP10PTPN2CDC25B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169037-A2 USE OF INSULIN SENSITISERS FOR IMPROVING KETOSIS Takeda Pharmaceutical Company Limited (JP) 2002-01-09 EP claimed
WO-2000061127-A2 USE OF INSULIN SENSITISERS FOR IMPROVING KETOSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-19 WO claimed