SCHEMBL9764885

SCHEMBL9764885

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
PTPN1 P18031 3/20 0.34
CNR2 P34972 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B2 P37059 1/20 0.33
JUN P05412 1/20 0.33

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
SCHEMBL9764828 0.79 MAOB (0.40) CYP1A2CYP2C19CYP2D6PTPN1MAPT
SCHEMBL9764840 0.76 ALOX5 (0.60) ALOX5CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL9764812 0.72 ALOX5 (0.50) ALOX5CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL10559546 0.72 ALOX5 (0.39) ALOX5CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9764841 0.71 ALOX5 (0.54) ALOX5CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL9764916 0.69 ALOX5 (0.70) ALOX5CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL10559634 0.69 ALOX5 (0.58) ALOX5CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL669581 0.68 ALOX5 (0.44) ALOX5CYP1A2CYP2C19SMN1; SMN2CNR2
SCHEMBL19334127 0.67 ALOX5 (0.46) ALOX5CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL9764855 0.67 ALOX5 (0.48) ALOX5CYP1A2CYP2C9CYP2C19CYP2D6

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-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