SCHEMBL9764912

SCHEMBL9764912

CC(CCc1ccc2c(c1)sc1ccccc12)N(O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.47
CYP1A2 P05177 2/20 0.43
PTGES O14684 1/20 0.43
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
ALOX5AP P20292 1/20 0.43
LOX P28300 1/20 0.43
EPHX2 P34913 1/20 0.43
PTGS2 P35354 1/20 0.43
LTB4R Q15722 1/20 0.43
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9764848 0.88 ALOX5 (0.49) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9764923 0.80 MMP12 (0.48) ALOX5CYP1A2GAARAB9ASMN1; SMN2
SCHEMBL9764833 0.79 ALOX5 (0.43) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL10559630 0.77 ALOX5 (0.42) ALOX5CYP1A2LMNAGAAALOX15
SCHEMBL10559910 0.76 ALOX5 (0.59) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL10611208 0.75 ALOX5 (0.57) ALOX5CYP1A2PTGESLMNALTA4H
Potassium SCHEMBL10559851 0.75 ALOX5 (0.57) ALOX5CYP1A2PTGESLMNALTA4H
Ammonia Solution, Strong SCHEMBL9764837 0.73 ALDH1A1 (0.39) ALOX5CYP1A2LMNAGAAALOX15
SCHEMBL10561140 0.72 ALOX5 (0.53) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL10559599 0.71 ALOX5 (0.59) ALOX5CYP1A2PTGESLMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed