SCHEMBL9233641

SCHEMBL9233641

C[C@H](C=Cc1ncc(Cc2ccc(F)cc2)s1)N(O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NFKB1 P19838 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL9233629 1.00 ALOX5 (0.50) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL9234952 1.00 ALOX5 (0.50) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL9233624 1.00 ALOX5 (0.50) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL9234938 1.00 ALOX5 (0.50) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL9233636 1.00 ALOX5 (0.50) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL9089186 0.82 ALOX5 (0.57) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL9089183 0.82 ALOX5 (0.57) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL9090758 0.82 ALOX5 (0.57) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL9089189 0.82 ALOX5 (0.57) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL9090751 0.82 ALOX5 (0.57) ALOX5EPHX2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506261-A Substituted aryl- and heteroarylalkenyl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1996-04-09 US disclosed