SCHEMBL9602544

SCHEMBL9602544

CC(c1cc2ccccc2[nH]1)N(O)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 1.00
CYP1A2 P05177 2/20 0.51
LMNA P02545 2/20 0.51
PTGES O14684 1/20 0.51
LTA4H P09960 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
ALOX5AP P20292 1/20 0.51
LOX P28300 1/20 0.51
EPHX2 P34913 1/20 0.51
PTGS2 P35354 1/20 0.51
LTB4R Q15722 1/20 0.51
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FLT3 P36888 1/20 0.42

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
SCHEMBL2395191 0.83 ALOX5 (0.71) ALOX5LMNAGAAKDM4ETP53
SCHEMBL417540 0.78 ALOX5 (0.64) ALOX5LMNAGAAKDM4ETP53
SCHEMBL10480435 0.76 ALOX5 (0.61) ALOX5FLT3
SCHEMBL22529424 0.76 ALOX5 (0.60) ALOX5LMNAKDM4ETP53L3MBTL1
SCHEMBL25275820 0.75 ALOX5 (0.59) ALOX5LMNAGAAKDM4ETP53
SCHEMBL7826463 0.75 ALOX5 (0.59) ALOX5LMNAGAAKDM4ETP53
SCHEMBL27502588 0.73 ALOX5 (0.58) ALOX5LMNAGAAKDM4ETP53
SCHEMBL1252328 0.73 ALOX5 (0.58) ALOX5LMNAGAAKDM4ETP53
SCHEMBL1767751 0.73 ALOX5 (0.57) ALOX5LMNAGAAPTGS2KDM4E
SCHEMBL29875597 0.73 ALOX5 (0.57) ALOX5LMNAGAAPTGS2KDM4E

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
EP-0279263-B1 INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-04 EP disclosed
US-4873259-A Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-10-10 US disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 EP disclosed