SCHEMBL9447135

SCHEMBL9447135

O=S(=O)(Nc1ccccc1OCc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.54
CLK1 P49759 1/20 0.53
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.46
HCRTR1 O43613 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HSPD1 P10809 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44
HSPE1 P61604 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL10655893 0.85 CYSLTR1 (0.70) CYSLTR2CYSLTR1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9447146 0.85 CYSLTR1 (0.69) CYSLTR2CYSLTR1MEN1KMT2ALMNA
SCHEMBL9446976 0.84 AR (0.59) SLC40A1CLK1CYSLTR2CYSLTR1MEN1
SCHEMBL9447068 0.79 SLC40A1 (0.48) SLC40A1CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL9446954 0.76 SLC40A1 (0.70) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL9447092 0.75 SLC40A1 (0.76) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL7592771 0.74 MEN1 (0.74) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL10650394 0.74 SLC40A1 (0.61) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL10543748 0.74 CYSLTR1 (0.64) CYSLTR2CYSLTR1
SCHEMBL7572994 0.73 SLC40A1 (0.66) SLC40A1CLK1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed