SCHEMBL8635121

SCHEMBL8635121

C=CCn1c(=NC(=O)NCC(F)(F)F)sc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 8/20 0.43
MAPT P10636 6/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 3/20 0.43
TRPM5 Q9NZQ8 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.42
MC4R P32245 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.40

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
SCHEMBL8635681 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL8637007 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL8637028 0.85 KDM4E (0.45) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL8635418 0.85 NPSR1 (0.56) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL8638211 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL8635642 0.84 KDM4E (0.44) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL8639176 0.84 CNR1 (0.43) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL8635206 0.83 NPSR1 (0.44) ALDH1A1MAPTNPC1RAB9ATRPM5
SCHEMBL8634025 0.83 KDM4E (0.48) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL8637029 0.83 CNR1 (0.54) ALDH1A1KDM4EMAPTNPC1RAB9A

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 4 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
EP-0568096-B1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO LTD (JP) 1998-07-29 EP disclosed
EP-0568096-A1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO., LTD. (JP) 1993-11-03 EP disclosed