SCHEMBL22018318

SCHEMBL22018318

COCCNC(=O)c1cc[n+](CCNS(=O)(=O)[O-])nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 7/20 0.38
TP53 P04637 2/20 0.36
MEN1 O00255 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NAMPT P43490 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
SCHEMBL22018101 0.87 CA12 (0.37) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL24145388 0.86 LOXL2 (0.34) KMT2A
SCHEMBL22018323 0.84 ALDH1A1 (0.39) HPGDALDH1A1KMT2ATP53MEN1
SCHEMBL22017892 0.84 CA2 (0.45) KMT2ANAMPT
SCHEMBL22017895 0.82 SMN1; SMN2 (0.42) HPGDALDH1A1KMT2ATP53MEN1
SCHEMBL22018651 0.81 RORC (0.34)
SCHEMBL24145389 0.76 LOXL2 (0.35) NPC1RAB9A
SCHEMBL22018040 0.75 KDM4E (0.48) HPGDALDH1A1KMT2ATP53MEN1
SCHEMBL22018103 0.74 CA12 (0.36) HPGDALDH1A1KMT2AMEN1CYP1A2
SCHEMBL22018681 0.73 HDAC4 (0.34) CYP1A2CYP2C19

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