SCHEMBL4569982

SCHEMBL4569982

O=C1CNC2(CCC(S(=O)(=O)c3ccc(-c4nc5ccccc5o4)cc3)CC2)CC1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.39
PTPN5 P54829 11/20 0.39
PTPN2 P17706 11/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSPD1 P10809 7/20 0.39
HSPE1 P61604 7/20 0.39
MMP8 P22894 3/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
PTGS2 P35354 1/20 0.37
MMP3 P08254 1/20 0.37
FASN P49327 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4565426 0.71 TGFBR1 (0.38)
SCHEMBL4564364 0.70 HTR6 (0.36) FASN
SCHEMBL4564770 0.68 NR3C1 (0.33)
SCHEMBL24295077 0.66 PTPN1 (0.63) PTPN1PTPN5PTPN2MEN1HPGD
SCHEMBL4564697 0.66 CHRNA7 (0.33) FASN
SCHEMBL4565386 0.65 FASN (0.40) FASN
SCHEMBL8120431 0.65 PTPN1 (0.64) PTPN1PTPN5PTPN2MEN1HPGD
SCHEMBL31170 0.63 NPC1 (0.81) PTPN1PTPN5PTPN2MEN1HPGD
SCHEMBL13994723 0.62 PTPN1 (0.57) PTPN1PTPN5PTPN2MEN1HPGD
SCHEMBL31476 0.61 NPC1 (0.79) PTPN1PTPN5PTPN2MEN1HPGD

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-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed