SCHEMBL9764833

SCHEMBL9764833

NC(=O)N(O)CCc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR3 P46089 1/20 0.38
CYP1A2 P05177 1/20 0.37
LIMK1 P53667 2/20 0.37
IKBKB O14920 1/20 0.37
LMNA P02545 4/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.34
OGG1 O15527 1/20 0.34

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
SCHEMBL10559630 0.92 ALOX5 (0.42) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL9764866 0.92 ALOX5 (0.43) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL9764852 0.88 PLA2G10 (0.40) ALOX5
Ammonia Solution, Strong SCHEMBL9764837 0.85 ALDH1A1 (0.39) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL9764870 0.84 ALDH1A1 (0.38) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL9764817 0.83 ALDH1A1 (0.37) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL9764820 0.83 ALOX5 (0.45) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL9764825 0.83 SLC9A1 (0.33) ALOX5
SCHEMBL9764883 0.82 ALOX5 (0.39) ALOX5HPGDRAB9ALIMK1NPC1
SCHEMBL9764829 0.81 ALOX5 (0.41) ALOX5ALDH1A1MAPTHPGDRAB9A

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