SCHEMBL22018320

SCHEMBL22018320

COCC(C)NC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 3/20 0.43
HCAR3 P49019 1/20 0.39
NAMPT P43490 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL22018301 0.87 HDAC4 (0.39) HPGDALDH1A1HTTRAB9AMEN1
SCHEMBL22322562 0.85 NPC1 (0.38) RAB9AMEN1KMT2ALMNANPC1
SCHEMBL22336364 0.83 CA2 (0.40) HPGDMEN1KMT2AKDM4E
SCHEMBL22018308 0.83 LMNA (0.34) HPGDALDH1A1HTTRAB9AMEN1
Hydrochloric Acid SCHEMBL22322614 0.82 CA2 (0.39) HPGDKDM4ELMNA
SCHEMBL22322613 0.81 LMNA (0.35) HPGDHTTKDM4ELMNA
SCHEMBL22018100 0.80 KDM4E (0.32) HPGDKDM4ELMNA
SCHEMBL22018297 0.79 BAZ2B (0.39) HPGDHTTPOLBKDM4EHSD17B10
SCHEMBL22018049 0.77 FDPS (0.37) HPGDALDH1A1NAMPTKDM4ELMNA
SCHEMBL22018099 0.76 MAPK1 (0.35) HPGDMEN1KMT2AKDM4ELMNA

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