SCHEMBL8636680

SCHEMBL8636680

CCCCCCn1c(=NC(=O)NCC(F)(F)F)sc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.64
CNR1 P21554 5/20 0.64
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38

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
SCHEMBL8636725 0.96 CNR2 (0.60) CNR2CNR1ALDH1A1NPSR1TSHR
SCHEMBL8637029 0.91 CNR1 (0.54) CNR2CNR1ALDH1A1NPSR1TSHR
SCHEMBL8635418 0.87 NPSR1 (0.56) CNR2CNR1ALDH1A1NPSR1TSHR
SCHEMBL8638638 0.84 CNR1 (0.47) CNR2CNR1ALDH1A1NPSR1TSHR
SCHEMBL8637902 0.83 CNR1 (0.59) CNR2CNR1ALDH1A1NPSR1TSHR
SCHEMBL8637219 0.82 NPSR1 (0.46) CNR2CNR1ALDH1A1NPSR1TSHR
SCHEMBL8637862 0.81 CNR1 (0.44) CNR2CNR1ALDH1A1NPSR1TSHR
SCHEMBL8636965 0.81 CNR1 (0.44) CNR2CNR1ALDH1A1NPSR1TSHR
SCHEMBL8639176 0.81 CNR1 (0.43) CNR2CNR1ALDH1A1NPSR1TSHR
SCHEMBL8635206 0.81 NPSR1 (0.44) CNR2CNR1ALDH1A1NPSR1TSHR

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