SCHEMBL19775347

SCHEMBL19775347

NC1=C(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
KMT2A Q03164 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ALDH1A1 P00352 6/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
TSHR P16473 2/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45

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
SCHEMBL8833118 0.77 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL12856431 0.75 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4993714 0.75 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL6282770 0.74 KMT2A (0.81) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21138207 0.74 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4548434 0.74 CHRM5 (0.49) SLC6A3ALDH1A1CHRM5CHRM1MAPT
SCHEMBL23812473 0.74 TDP1 (0.61) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL8665150 0.73 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19866979 0.72 KMT2A (0.82) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL6402746 0.72 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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
EP-3019476-B1 4-MEMBERED RING CARBOXAMIDES USED AS NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-17 EP disclosed