SCHEMBL9376239

SCHEMBL9376239

CC(=O)N(O)Cc1ccc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
AR P10275 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GSK3B P49841 2/20 0.38
DAO P14920 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX5 P09917 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9373608 0.82 ALOX5 (0.51) L3MBTL1ARCES2CES1GSK3B
SCHEMBL9473734 0.81 L3MBTL1 (0.39) L3MBTL1ARPDK1PDK2PDK3
SCHEMBL16131032 0.76 L3MBTL1 (0.40) L3MBTL1ARPDK1PDK2PDK3
SCHEMBL25288501 0.75 AR (0.52) L3MBTL1ARPDK1PDK2PDK3
SCHEMBL352925 0.75 KMT2A (0.43) L3MBTL1ARPDK1PDK2PDK3
SCHEMBL2615871 0.73 L3MBTL1 (0.50) L3MBTL1ARCES2CES1GSK3B
SCHEMBL621621 0.72 CYP2A6 (0.43) L3MBTL1ARPDK1PDK2PDK3
SCHEMBL31248380 0.72 HDAC3 (0.43) L3MBTL1ARPDK1PDK2PDK3
SCHEMBL4967153 0.70 L3MBTL1 (0.47) L3MBTL1CES2CES1GSK3BDAO
SCHEMBL9707349 0.70 ALOX5 (0.58) ALOX5PTGS1PTGS2RAB9A

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-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed