SCHEMBL7630998

SCHEMBL7630998

CN1C(=O)SC(=O)C1c1ccc2cc(OCc3c(F)cc(F)cc3F)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
HPN P05981 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAOB P27338 3/20 0.32
MAPK14 Q16539 1/20 0.31
ACHE P22303 1/20 0.31
MAOA P21397 2/20 0.31

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
SCHEMBL7634855 0.91 AR (0.37) GABRG2GABRB3GABRA5HPNKDM4E
SCHEMBL7635956 0.84 PTPN1 (0.45) MAOB
SCHEMBL7631011 0.78 GABRG2 (0.34) GABRG2GABRB3GABRA5HPNKDM4E
SCHEMBL7637090 0.77 NR4A2 (0.42)
SCHEMBL7634857 0.70 AR (0.37) GABRG2GABRB3GABRA5HPNKDM4E
SCHEMBL7630978 0.64 FFAR1 (0.56) ALDH1A1MAOA
SCHEMBL3969790 0.62 PARP15 (0.44) MAOB
SCHEMBL8877885 0.62 PARP15 (0.43) MAOB
SCHEMBL8877887 0.62 PARP15 (0.43) MAOB
SCHEMBL7634109 0.61 KMT2A (0.38) ALDH1A1MAOB

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-1186588-A1 6-HYDROXY-2-NAPHTHYLCARBINOL AND PROCESS FOR THE PREPARATION THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2002-03-13 EP disclosed