SCHEMBL8633993

SCHEMBL8633993

O=C(N=c1sc2ccccc2n1CC1CC1)NCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.42
CNR1 P21554 10/20 0.42
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGER4 P35408 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8635418 0.84 NPSR1 (0.56) CNR2CNR1ALDH1A1TSHRMAPK1
SCHEMBL8636965 0.83 CNR1 (0.44) CNR2CNR1ALDH1A1TSHRMAPK1
SCHEMBL8639176 0.83 CNR1 (0.43) CNR2CNR1ALDH1A1TSHRMAPK1
SCHEMBL8634025 0.82 KDM4E (0.48) CNR2CNR1ALDH1A1TSHRMAPK1
SCHEMBL8637029 0.82 CNR1 (0.54) CNR2CNR1ALDH1A1TSHRMAPK1
SCHEMBL8637219 0.82 NPSR1 (0.46) CNR2CNR1ALDH1A1TSHRMAPK1
SCHEMBL8637862 0.81 CNR1 (0.44) CNR2CNR1ALDH1A1TSHRMAPK1
SCHEMBL8636970 0.81 MAPT (0.43) CNR2CNR1ALDH1A1TSHRMAPK1
SCHEMBL8635643 0.81 ALDH1A1 (0.52) CNR2CNR1ALDH1A1TSHRMAPK1
SCHEMBL8635121 0.81 ALDH1A1 (0.43) CNR2CNR1ALDH1A1TSHRMAPK1

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