SCHEMBL7867091

SCHEMBL7867091

O=C1CN(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(=O)S1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.50
PTPN2 P17706 5/20 0.48
CDC25B P30305 5/20 0.48
MAOB P27338 7/20 0.46
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
PARP14 Q460N5 1/20 0.44
HPD P32754 1/20 0.43
SCN3A Q9NY46 1/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PTPN6 P29350 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL7860730 0.79 PIM1 (0.59) PTPN1PTPN2CDC25BMAOBPARP15
SCHEMBL30475601 0.79 PIM1 (0.59) PTPN1PTPN2CDC25BMAOBPARP15
SCHEMBL8877320 0.72 PTPN1 (0.64) PTPN1PTPN2CDC25BMAOBPARP15
SCHEMBL8876594 0.72 PTPN1 (0.60) PTPN1PTPN2CDC25BMAOBPARP15
SCHEMBL5397207 0.72 PTPN1 (0.60) PTPN1PTPN2CDC25BMAOBPARP15
SCHEMBL10281143 0.71 PTPN1 (0.48) PTPN1PTPN2CDC25BMAOBPARP15
SCHEMBL305465 0.70 PTPN1 (0.53) PTPN1PTPN2CDC25BMAOBPARP15
SCHEMBL4239883 0.69 MAOB (0.51) PTPN1PTPN2CDC25BMAOBPARP15
SCHEMBL6389087 0.69 PTPN1 (0.49) PTPN1PTPN2CDC25BMAOBPARP15
Netoglitazone SCHEMBL142658 0.69 FFAR1 (0.55) PTPN1PTPN2CDC25BPARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131310-A1 CHRYSTALS OF 5- 6-(2-FLUOROBENZYL)OXY-2-NAPHTHYL METHYL]-2,4-THIAZOLIDINEDIONE MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-12 EP claimed
WO-2000031055-A1 CHRYSTALS OF 5-[{6-(2-FLUOROBENZYL)OXY-2-NAPHTHYL}METHYL]-2,4-THIAZOLIDINEDIONE MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-02 WO claimed
EP-1131310-A1 CHRYSTALS OF 5- 6-(2-FLUOROBENZYL)OXY-2-NAPHTHYL METHYL]-2,4-THIAZOLIDINEDIONE MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-12 EP disclosed
WO-2000031055-A1 CHRYSTALS OF 5-[{6-(2-FLUOROBENZYL)OXY-2-NAPHTHYL}METHYL]-2,4-THIAZOLIDINEDIONE MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-02 WO disclosed