SCHEMBL20714747

SCHEMBL20714747

COc1ccc(NCCNS)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
GAA P10253 5/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ICMT O60725 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 3/20 0.43

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
SCHEMBL20714854 0.86 MAPT (0.44) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL20715032 0.86 MAPT (0.49) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL20714770 0.84 GAA (0.50) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL20715031 0.84 L3MBTL1 (0.50) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL20714669 0.84 MAPT (0.43) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL3821707 0.83 MAPT (0.53) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL7838158 0.82 MAPT (0.49) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL10845913 0.81 KDM4E (0.51) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL8348474 0.81 KDM4E (0.51) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL20714825 0.80 ALDH1A1 (0.55) MAPTGAAKDM4EALDH1A1CYP1A2

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-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed