SCHEMBL22015067

SCHEMBL22015067

CCOC(=O)C(=[N+]=NC)C(=O)c1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 6/20 0.35
PKM P14618 1/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
HPGD P15428 3/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21963668 0.82 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL22015050 0.78 CES1 (0.34) ALDH1A1PKMNPC1RAB9A
SCHEMBL489524 0.68 TSHR (0.52) CYP1A2ALDH1A1P2RX7LMNAKDM4E
Bromide SCHEMBL28533203 0.67 TSHR (0.50) CYP1A2ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL18974102 0.66 GAA (0.49) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL13310387 0.66 CES2 (0.49) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL3371609 0.66 CES2 (0.49) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL14194386 0.65 MEN1 (0.41) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL5479636 0.64 CES2 (0.60) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL20703021 0.63 CTDSP1 (0.55) MAPTCYP1A2CYP3A4CYP2D6MAPK1

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-2020099407-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed