SCHEMBL8637028

SCHEMBL8637028

C=CCn1c(=NC(=O)NCC(F)(F)F)sc2cccc(F)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.45
MAPT P10636 7/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 5/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 3/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
SHMT2 P34897 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PSMD14 O00487 1/20 0.33
GAA P10253 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
SCHEMBL8635642 0.89 KDM4E (0.44) KDM4EMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL8635121 0.85 ALDH1A1 (0.43) KDM4EMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL8633977 0.82 KDM4E (0.52) KDM4EMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL8635681 0.77 ALDH1A1 (0.42) KDM4EMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL8635418 0.72 NPSR1 (0.56) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8637007 0.72 ALDH1A1 (0.43) KDM4EMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL8639176 0.71 CNR1 (0.43) KDM4EMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL8635206 0.71 NPSR1 (0.44) MAPTALDH1A1SMN1; SMN2NPC1NPSR1
SCHEMBL8634025 0.70 KDM4E (0.48) KDM4EMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL8637029 0.70 CNR1 (0.54) KDM4EMAPTALDH1A1SMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568096-B1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO LTD (JP) 1998-07-29 EP claimed
EP-0568096-A1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO., LTD. (JP) 1993-11-03 EP claimed