SCHEMBL22340644

SCHEMBL22340644

Cc1nncc(-c2cc[n+](CCCS(=O)(=O)[O-])cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.43
▸ EIF4H Q15056 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MAPT P10636 4/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL22322810 0.92 KDM4E (0.34) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL22340627 0.80 — —
SCHEMBL22340393 0.78 LTB4R (0.33) —
SCHEMBL22340704 0.76 ALDH1A1 (0.50) PABPC1EIF4HCTDSP1ALDH1A1HPGD
SCHEMBL4411842 0.75 PABPC1 (0.62) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL22340392 0.75 KDM4E (0.35) KDM4EHPGDGAAMAPTCYP11B2
Hydrochloric Acid SCHEMBL22322837 0.74 KDM4E (0.35) KDM4EHPGDGAAMAPTPOLB
SCHEMBL22322834 0.74 CYP11B2 (0.32) CYP11B2
SCHEMBL22340811 0.73 NPC1 (0.32) ALDH1A1KDM4EHPGDGAARXFP1
SCHEMBL21523382 0.72 PABPC1 (0.58) PABPC1EIF4HCTDSP1ALDH1A1KDM4E

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-2020161162-A1 HERBICIDAL PYRIDINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
Send feedback