SCHEMBL9282958

SCHEMBL9282958

NC(=O)N(O)CC#CCc1ncc(Cc2ccc(F)cc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.59
EPHX2 P34913 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ABL1 P00519 1/20 0.40
TSHR P16473 1/20 0.37
GPER1 Q99527 1/20 0.37
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL527586 0.82 ALOX5 (0.72) ALOX5EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL9285681 0.78 ALOX5 (0.46) ALOX5EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL9285478 0.78 ALOX5 (0.46) ALOX5EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL9025191 0.77 ALOX5 (0.58) ALOX5EPHX2SMN1; SMN2
SCHEMBL9025062 0.75 ALOX5 (0.56) ALOX5EPHX2ALDH1A1GAA
SCHEMBL9025000 0.75 ALOX5 (0.56) ALOX5EPHX2
SCHEMBL9025772 0.75 ALOX5 (0.55) ALOX5EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL8309551 0.74 ALOX5 (1.00) ALOX5EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL8305231 0.74 ALOX5 (0.58) ALOX5EPHX2SMN1; SMN2NPC1ALDH1A1
SCHEMBL9025522 0.73 ALOX5 (0.53) ALOX5EPHX2MEN1KMT2AALDH1A1

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