SCHEMBL30958995

SCHEMBL30958995

CCOC(=O)[C@]1(C)CC(c2cc(-n3c(=O)n(C)c(=S)n(C)c3=O)c(F)cc2Br)=NO1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30958996 1.00 CA1 (0.36) CA1CA2KDM4EALDH1A1POLB
SCHEMBL23664325 0.93 CA1 (0.35) CA1CA2KDM4EALDH1A1POLB
SCHEMBL29438151 0.90 CA1 (0.33) CA1CA2KDM4EALDH1A1POLB
SCHEMBL25061571 0.90 CA1 (0.33) CA1CA2KDM4EALDH1A1POLB
SCHEMBL25061578 0.90 CA1 (0.33) CA1CA2KDM4EALDH1A1POLB
SCHEMBL22714357 0.90 CA1 (0.33) CA1CA2KDM4EALDH1A1POLB
SCHEMBL22714370 0.84 OPRL1 (0.30) CA1CA2
SCHEMBL29438148 0.84 OPRL1 (0.30) CA1CA2
SCHEMBL30958994 0.84 OPRL1 (0.30) CA1CA2
SCHEMBL29438147 0.84 OPRL1 (0.30) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110366-A1 A METHOD FOR CONTROLLING WEEDS SYNGENTA CROP PROTECTION AG (CH) 2024-05-30 — — WO claimed
WO-2024110366-A1 A METHOD FOR CONTROLLING WEEDS SYNGENTA CROP PROTECTION AG (CH) 2024-05-30 — — WO disclosed
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