SCHEMBL9764883

SCHEMBL9764883

NC(=O)N(O)CCc1ccc2c(c1)sc1c(-c3ccccc3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
F9 P00740 1/20 0.37
SLC9A1 P19634 2/20 0.36
LTB4R Q15722 4/20 0.35
LTB4R2 Q9NPC1 4/20 0.35
MCL1 Q07820 1/20 0.35
PARP14 Q460N5 1/20 0.35
LIMK1 P53667 2/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CHEK2 O96017 1/20 0.33
CDK1 P06493 1/20 0.33
CSF1R P07333 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 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
SCHEMBL9764825 0.83 SLC9A1 (0.33) ALOX5SLC9A1DYRK1A
SCHEMBL9764833 0.82 ALOX5 (0.43) ALOX5LTB4RLIMK1NPC1HPGD
SCHEMBL9764852 0.79 PLA2G10 (0.40) ALOX5PLA2G10PLA2G2ASLCO1B1
SCHEMBL10559630 0.76 ALOX5 (0.42) ALOX5LIMK1NPC1HPGDRAB9A
SCHEMBL9764866 0.75 ALOX5 (0.43) ALOX5LIMK1NPC1HPGDRAB9A
SCHEMBL9764851 0.74 ALOX5 (0.48) ALOX5LTB4R
SCHEMBL9764814 0.73 ALOX5 (0.45) ALOX5SLC9A1MCL1PARP14LIMK1
SCHEMBL22137041 0.70 ALDH1A1 (0.57) ALOX5F9PARP14LIMK1CSF1R
SCHEMBL18457799 0.70 ALOX5 (0.49) ALOX5F9MCL1PARP14LIMK1
Ammonia Solution, Strong SCHEMBL9764837 0.69 ALDH1A1 (0.39) ALOX5NPC1HPGDRAB9A

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 4 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
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed