SCHEMBL22144262

SCHEMBL22144262

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ PABPC1 P11940 1/20 0.40
▸ EIF4H Q15056 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ BCHE P06276 11/20 0.36
▸ ACHE P22303 10/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL22144266 0.96 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1HPGDGAA
SCHEMBL22124895 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ERXFP1HPGDGAA
SCHEMBL22144257 0.81 CYP2C19 (0.34) ALDH1A1KDM4ERXFP1HPGDPABPC1
SCHEMBL22125138 0.80 KDM4E (0.35) ALDH1A1KDM4ERXFP1HPGDGAA
SCHEMBL22144254 0.77 BCHE (0.33) ALDH1A1KDM4ERXFP1BCHEPOLB
SCHEMBL22144220 0.77 KDM4E (0.35) ALDH1A1KDM4ERXFP1
SCHEMBL22124966 0.75 MAPT (0.42) ALDH1A1KDM4ERXFP1HPGDMAPT
SCHEMBL22144116 0.74 KDM4E (0.32) ALDH1A1KDM4ERXFP1HPGDBCHE
SCHEMBL22144102 0.74 PRNP (0.42) KDM4ERXFP1
SCHEMBL22144248 0.73 NCF1 (0.36) ALDH1A1GAABCHEACHEMAPT

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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