SCHEMBL9764916

SCHEMBL9764916

CC(CC(c1csc2ccccc12)c1csc2ccccc12)N(O)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.70
CYP1A2 P05177 3/20 0.40
PTGES O14684 1/20 0.40
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ALOX5AP P20292 1/20 0.40
LOX P28300 1/20 0.40
EPHX2 P34913 1/20 0.40
PTGS2 P35354 1/20 0.40
LTB4R Q15722 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
APP P05067 1/20 0.39
MC4R P32245 1/20 0.38
MC5R P33032 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
SCHEMBL5689869 0.82 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9764840 0.79 ALOX5 (0.60) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10559634 0.76 ALOX5 (0.58) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9764924 0.75 ALOX5 (0.43) ALOX5
SCHEMBL9764841 0.74 ALOX5 (0.54) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8905371 0.73 ALOX5 (0.64) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19682606 0.72 ALOX5 (0.59) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14622826 0.72 ALOX5 (0.59) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20889296 0.72 ALOX5 (0.59) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5691758 0.72 ALOX5 (0.76) ALOX5MC4RMC5R

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