SCHEMBL9285478

SCHEMBL9285478

NC(=O)N(O)C/C=C\Cc1ncc(Cc2ccc(F)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 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
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
ABL1 P00519 1/20 0.40
TSHR P16473 1/20 0.39
EPHX2 P34913 2/20 0.39
GAA P10253 1/20 0.38
OPRK1 P41145 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9285681 1.00 ALOX5 (0.46) ALOX5SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9260118 0.82 ALOX5 (0.56) ALOX5SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9260680 0.82 ALOX5 (0.56) ALOX5SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9282958 0.78 ALOX5 (0.59) ALOX5SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9255678 0.75 ALOX5 (0.42) ALOX5SMN1; SMN2ALDH1A1EPHX2GAA
SCHEMBL9252536 0.75 ALOX5 (0.42) ALOX5SMN1; SMN2ALDH1A1EPHX2GAA
SCHEMBL9091217 0.74 ALOX5 (0.55) ALOX5SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9262607 0.74 ALOX5 (0.44) ALOX5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9091224 0.74 ALOX5 (0.55) ALOX5SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9257237 0.71 ALOX5 (0.42) ALOX5MEN1LMNAKMT2AEPHX2

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