SCHEMBL8635643

SCHEMBL8635643

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 7/20 0.52
NPSR1 Q6W5P4 6/20 0.44
POLB P06746 4/20 0.44
RXFP1 Q9HBX9 2/20 0.44
KDM4E B2RXH2 9/20 0.42
HPGD P15428 7/20 0.42
PPARG P37231 3/20 0.42
NCOA2 Q15596 3/20 0.42
NCOA1 Q15788 3/20 0.42
THRB P10828 1/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PSMD14 O00487 1/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 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
SCHEMBL8635418 0.85 NPSR1 (0.56) ALDH1A1MAPTNPSR1KDM4ECNR1
SCHEMBL8639176 0.84 CNR1 (0.43) ALDH1A1MAPTNPSR1KDM4ECNR1
SCHEMBL8637029 0.83 CNR1 (0.54) ALDH1A1MAPTNPSR1KDM4ECNR1
SCHEMBL8634025 0.83 KDM4E (0.48) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL8637219 0.83 NPSR1 (0.46) ALDH1A1MAPTNPSR1CNR1CNR2
SCHEMBL8635121 0.82 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1POLBKDM4E
SCHEMBL8637862 0.82 CNR1 (0.44) ALDH1A1MAPTNPSR1CNR1CNR2
SCHEMBL8636965 0.82 CNR1 (0.44) ALDH1A1MAPTNPSR1POLBKDM4E
SCHEMBL8635206 0.81 NPSR1 (0.44) ALDH1A1MAPTNPSR1CNR1CNR2
SCHEMBL8636725 0.81 CNR2 (0.60) ALDH1A1MAPTNPSR1KDM4ECNR1

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