SCHEMBL8897895

SCHEMBL8897895

Cc1c(C(C)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C)sc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
PAX8 Q06710 1/20 0.33
GRM6 O15303 1/20 0.32
PRNP P04156 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN12 Q05209 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30

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
SCHEMBL8069827 0.86 MAPT (0.34) ALOX5MAPT
SCHEMBL8897007 0.77 ALOX5 (0.51) ALOX5GAAALOX15
SCHEMBL8060767 0.77 ALOX5 (0.53) ALOX5PAX8ALDH1A1GAAHPGD
SCHEMBL8071333 0.77 ALDH1A1 (0.39) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL8060915 0.76 ALDH1A1 (0.34) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL8897373 0.73 GPR84 (0.42) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL8075184 0.72 EYA3 (0.32) ALOX5KDM4E
SCHEMBL8076380 0.69 HTT (0.40) PAX8KDM4EALDH1A1GAAMAPT
SCHEMBL5689250 0.69 ALOX5 (0.73) ALOX5GAAALOX15
SCHEMBL8771878 0.68 MMP13 (0.33) ALOX5GAAATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed