SCHEMBL8782898

SCHEMBL8782898

Brc1ccc(NCc2cccs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
LMNA P02545 2/20 0.62
PTPN1 P18031 1/20 0.54
PTPN11 Q06124 1/20 0.54
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
KCNH3 Q9ULD8 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.46
GRK2 P25098 1/20 0.46
PTPN7 P35236 1/20 0.46

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
SCHEMBL2716691 0.82 L3MBTL1 (0.70) L3MBTL1LMNAPTPN1PTPN11KDM4E
SCHEMBL8322277 0.81 L3MBTL1 (0.69) L3MBTL1LMNAPTPN1PTPN11KDM4E
SCHEMBL456924 0.81 L3MBTL1 (0.69) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6298735 0.80 L3MBTL1 (0.67) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
SCHEMBL2719222 0.79 L3MBTL1 (0.66) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
SCHEMBL7955725 0.79 L3MBTL1 (0.65) L3MBTL1LMNAPTPN1PTPN11KDM4E
SCHEMBL15456012 0.78 L3MBTL1 (0.64) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
SCHEMBL14849565 0.77 MAPT (0.63) L3MBTL1LMNAPTPN1PTPN11KDM4E
SCHEMBL6798736 0.77 L3MBTL1 (0.63) L3MBTL1LMNAPTPN1PTPN11KDM4E
SCHEMBL22191395 0.77 L3MBTL1 (0.50) L3MBTL1LMNAPTPN1PTPN11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595995-B1 ARYLAMIDOALKYL- AND ARYLAMINOALKYL-N-HYDROXYUREA COMPOUNDS AND -N-HYDROXYFORMAMIDE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed
EP-0595995-A4 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1994-08-24 EP disclosed
EP-0595995-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1994-05-11 EP disclosed
US-5214204-A Inhibitors of biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
WO-1993002037-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1993-02-04 WO disclosed