SCHEMBL22144257

SCHEMBL22144257

O=S(=O)([O-])OCCC[n+]1ccc2ccccc2n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ BCHE P06276 8/20 0.32
▸ ACHE P22303 5/20 0.31
▸ RECQL P46063 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ EIF4H Q15056 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL22144254 0.92 BCHE (0.33) KDM4EALDH1A1RXFP1BCHEPOLB
SCHEMBL22144266 0.82 ALDH1A1 (0.50) KDM4EALDH1A1RXFP1BCHEACHE
SCHEMBL22144262 0.81 ALDH1A1 (0.46) KDM4EALDH1A1RXFP1BCHEACHE
SCHEMBL22124895 0.79 ALDH1A1 (0.43) KDM4EALDH1A1RXFP1BCHEACHE
SCHEMBL22125138 0.75 KDM4E (0.35) KDM4EALDH1A1RXFP1BCHEACHE
SCHEMBL22144220 0.75 KDM4E (0.35) KDM4EALDH1A1RXFP1RAB9A
SCHEMBL22124966 0.73 MAPT (0.42) KDM4EALDH1A1RXFP1HPGD
SCHEMBL22124890 0.73 ACHE (0.33) CYP2C19KDM4EALDH1A1ACHEPOLB
SCHEMBL22144102 0.71 PRNP (0.42) KDM4ERXFP1MAPK1
SCHEMBL22144248 0.71 NCF1 (0.36) CYP2C19ALDH1A1BCHEACHE

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
WO-2020127168-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 — — WO disclosed
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