SCHEMBL8635206

SCHEMBL8635206

C=C(C)Cn1c(=NC(=O)NCC(F)(F)F)sc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 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
SCHEMBL8637219 0.91 NPSR1 (0.46) NPSR1ALDH1A1TSHRMAPK1TP53
SCHEMBL8639176 0.87 CNR1 (0.43) NPSR1ALDH1A1TSHRMAPK1TP53
SCHEMBL8635418 0.86 NPSR1 (0.56) NPSR1ALDH1A1TSHRMAPK1TP53
SCHEMBL8637029 0.84 CNR1 (0.54) NPSR1ALDH1A1TSHRMAPK1TP53
SCHEMBL8638977 0.84 NPSR1 (0.61) NPSR1ALDH1A1TSHRMAPK1TP53
SCHEMBL8637862 0.83 CNR1 (0.44) NPSR1ALDH1A1TSHRMAPK1TP53
SCHEMBL8636965 0.83 CNR1 (0.44) NPSR1ALDH1A1TSHRMAPK1TP53
SCHEMBL8635121 0.83 ALDH1A1 (0.43) NPSR1ALDH1A1TSHRMAPK1CNR1
SCHEMBL8636725 0.82 CNR2 (0.60) NPSR1ALDH1A1TSHRMAPK1TP53
SCHEMBL8637025 0.82 NPSR1 (0.47) NPSR1ALDH1A1TSHRMAPK1TP53

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