SCHEMBL22018050

SCHEMBL22018050

O=C(Nc1ccccc1)c1cc[n+](CCS(=O)(=O)[O-])nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
P4HTM Q9NXG6 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
NAMPT P43490 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
PTPN1 P18031 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
PRMT1 Q99873 1/20 0.42
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL22018325 0.85 NPC1 (0.44) NPC1RAB9AKMT2AMEN1CA12
SCHEMBL22018668 0.83 CA2 (0.50) ALDH1A1KDM4ENAMPTHDAC2HDAC8
SCHEMBL22018657 0.82 NPC1 (0.48) ALDH1A1NPC1RAB9AKDM4EP4HTM
SCHEMBL22018290 0.80 CA12 (0.41) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL22018670 0.80 SMN1; SMN2 (0.44) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL22018040 0.78 KDM4E (0.48) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL22018046 0.78 LMNA (0.41) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL22018666 0.77 CA2 (0.50) KDM4EKMT2ANAMPTCA12CA1
SCHEMBL22018656 0.77 KMT2A (0.42) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL22018041 0.76 CA2 (0.44) NAMPTHDAC2HDAC8HDAC6CYP2C9

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed