SCHEMBL22340392

SCHEMBL22340392

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TERT O14746 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP11B2 P19099 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30
▸ PDE10A Q9Y233 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
Hydrochloric Acid SCHEMBL22322837 0.99 KDM4E (0.35) KDM4EPOLBCYP2D6TSHRHSD17B10
SCHEMBL22340393 0.92 LTB4R (0.33) —
SCHEMBL22322834 0.88 CYP11B2 (0.32) TERTCYP11B2
SCHEMBL22340811 0.87 NPC1 (0.32) KDM4ENPC1GAAMAPTHPGD
SCHEMBL22340380 0.86 LTB4R (0.34) KDM4ECYP2D6TSHRHSD17B10TERT
Hydrochloric Acid SCHEMBL22322860 0.86 ACHE (0.32) KDM4ENPC1GAAMAPTHPGD
SCHEMBL22340379 0.83 ALDH1A1 (0.51) KDM4EHSD17B10GAAMAPTL3MBTL1
SCHEMBL22322859 0.81 ALDH1A1 (0.31) KDM4EGAAMAPTHPGDL3MBTL1
SCHEMBL22340705 0.78 ALDH1A1 (0.38) KDM4ECYP2D6TSHRHSD17B10NPC1
SCHEMBL22322810 0.77 KDM4E (0.34) KDM4EGAAHPGDCYP11B2

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
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