SCHEMBL9260002

SCHEMBL9260002

NC(=O)N(O)C/C=C\Cc1ccc(Cc2ccncc2)s1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.40
CYP17A1 P05093 1/20 0.36
EPHX2 P34913 1/20 0.33
TBXAS1 P24557 3/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL9260024 0.86 TBXAS1 (0.49) ALOX5TBXAS1
SCHEMBL9260118 0.85 ALOX5 (0.56) ALOX5EPHX2
SCHEMBL9257237 0.85 ALOX5 (0.42) ALOX5EPHX2
SCHEMBL9260680 0.85 ALOX5 (0.56) ALOX5EPHX2
SCHEMBL9258162 0.83 ALOX5 (0.46) ALOX5EPHX2
SCHEMBL9287219 0.80 ALOX5 (0.45) ALOX5
SCHEMBL9264598 0.80 ALOX5 (0.38) ALOX5
SCHEMBL9288892 0.80 ALOX5 (0.39) ALOX5
SCHEMBL9267255 0.79 SLC1A3 (0.39) ALOX5
SCHEMBL9287450 0.77 ALOX5 (0.41) ALOX5

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
WO-1995030671-A1 SUBSTITUTED ARYL- AND HETEROARYLALKENYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-11-16 WO claimed
WO-1995030671-A1 SUBSTITUTED ARYL- AND HETEROARYLALKENYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-11-16 WO disclosed