SCHEMBL9090751

SCHEMBL9090751

C[C@H](/C=C/c1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.57
EPHX2 P34913 1/20 0.57
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9090758 1.00 ALOX5 (0.57) ALOX5EPHX2MAPTMEN1ALDH1A1
SCHEMBL9091155 1.00 ALOX5 (0.57) ALOX5EPHX2MAPTMEN1ALDH1A1
SCHEMBL9089186 1.00 ALOX5 (0.57) ALOX5EPHX2MAPTMEN1ALDH1A1
SCHEMBL9089183 1.00 ALOX5 (0.57) ALOX5EPHX2MAPTMEN1ALDH1A1
SCHEMBL9089189 1.00 ALOX5 (0.57) ALOX5EPHX2MAPTMEN1ALDH1A1
SCHEMBL9091723 0.90 ALOX5 (0.48) ALOX5EPHX2MAPTMEN1ALDH1A1
SCHEMBL9091721 0.90 ALOX5 (0.48) ALOX5EPHX2MAPTMEN1ALDH1A1
SCHEMBL9091734 0.90 ALOX5 (0.48) ALOX5EPHX2MAPTMEN1ALDH1A1
SCHEMBL9090990 0.89 ALOX5 (0.47) ALOX5EPHX2MAPTMEN1ALDH1A1
SCHEMBL9090984 0.89 ALOX5 (0.47) ALOX5EPHX2MAPTMEN1ALDH1A1

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
WO-1995030671-A1 SUBSTITUTED ARYL- AND HETEROARYLALKENYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-11-16 WO claimed
US-5506261-A Substituted aryl- and heteroarylalkenyl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1996-04-09 US disclosed
WO-1995030671-A1 SUBSTITUTED ARYL- AND HETEROARYLALKENYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-11-16 WO disclosed