SCHEMBL9764866

SCHEMBL9764866

NC(=O)N(O)CCc1ccc2sc3ccccc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 4/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
GPR3 P46089 1/20 0.38
IKBKB O14920 1/20 0.37
LIMK1 P53667 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL9764833 0.92 ALOX5 (0.43) ALOX5CYP1A2MAPTGPR3IKBKB
SCHEMBL10559630 0.84 ALOX5 (0.42) ALOX5CYP1A2MAPTGPR3IKBKB
SCHEMBL9764829 0.81 ALOX5 (0.41) ALOX5CYP1A2MAPTPTPN7DUSP3
SCHEMBL9764852 0.81 PLA2G10 (0.40) ALOX5
SCHEMBL9764861 0.78 KDM4E (0.51) MAPTALDH1A1HPGDRAB9AGABRP
Ammonia Solution, Strong SCHEMBL9764837 0.77 ALDH1A1 (0.39) ALOX5CYP1A2MAPTPTPN7DUSP3
SCHEMBL9764870 0.76 ALDH1A1 (0.38) ALOX5CYP1A2MAPTGPR3ALDH1A1
SCHEMBL9764814 0.76 ALOX5 (0.45) ALOX5GPR3IKBKBLIMK1
SCHEMBL19768707 0.76 GPR3 (0.56) CYP1A2MAPTPTPN7DUSP3PTPN12
SCHEMBL7821341 0.76 CYP1A2 (0.62) CYP1A2MAPTPTPN7DUSP3PTPN12

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