SCHEMBL8637029

SCHEMBL8637029

CCCn1c(=NC(=O)NCC(F)(F)F)sc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.54
CNR2 P34972 4/20 0.54
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
MEN1 O00255 2/20 0.39

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 0.93 CNR2 (0.60) CNR1CNR2ALDH1A1NPSR1TSHR
SCHEMBL8636680 0.91 CNR2 (0.64) CNR1CNR2ALDH1A1NPSR1TSHR
SCHEMBL8635418 0.91 NPSR1 (0.56) CNR1CNR2ALDH1A1NPSR1TSHR
SCHEMBL8638638 0.88 CNR1 (0.47) CNR1CNR2ALDH1A1NPSR1TSHR
SCHEMBL8637219 0.86 NPSR1 (0.46) CNR1CNR2ALDH1A1NPSR1TSHR
SCHEMBL8637862 0.85 CNR1 (0.44) CNR1CNR2ALDH1A1NPSR1TSHR
SCHEMBL8636965 0.85 CNR1 (0.44) CNR1CNR2ALDH1A1NPSR1TSHR
SCHEMBL8639176 0.85 CNR1 (0.43) CNR1CNR2ALDH1A1NPSR1TSHR
SCHEMBL8635206 0.84 NPSR1 (0.44) CNR1CNR2ALDH1A1NPSR1TSHR
SCHEMBL8634025 0.84 KDM4E (0.48) CNR1CNR2ALDH1A1NPSR1TSHR

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