SCHEMBL7635956

SCHEMBL7635956

CN1C(=O)SC(=O)C1c1ccc2cc(OCc3ccccc3F)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.45
PARP15 Q460N3 3/20 0.44
PARP10 Q53GL7 3/20 0.44
KCNH2 Q12809 3/20 0.43
AR P10275 1/20 0.43
MAOB P27338 5/20 0.42
PTPN2 P17706 3/20 0.40
CDC25B P30305 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MCHR1 Q99705 1/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP14 Q460N5 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
SCHEMBL7634855 0.88 AR (0.37) PTPN1ARMAOBSMN1; SMN2
SCHEMBL7630998 0.84 GABRG2 (0.34) MAOB
SCHEMBL7637090 0.80 NR4A2 (0.42) PTPN1
SCHEMBL3969790 0.79 PARP15 (0.44) PTPN1PARP15PARP10KCNH2AR
SCHEMBL8877887 0.78 PARP15 (0.43) PTPN1PARP15PARP10KCNH2AR
SCHEMBL8877885 0.78 PARP15 (0.43) PTPN1PARP15PARP10KCNH2AR
SCHEMBL12443168 0.72 PTPN1 (0.53) PTPN1PARP15PARP10MAOBPTPN2
SCHEMBL10281143 0.71 PTPN1 (0.48) PTPN1PARP15PARP10MAOBPTPN2
SCHEMBL8877502 0.71 PARP10 (0.58) PTPN1PARP15PARP10MAOBPTPN2
SCHEMBL7239415 0.68 MAOB (0.58) PTPN1PARP15PARP10MAOBPTPN2

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