SCHEMBL10376404

SCHEMBL10376404

CC(C#N)N1C(=O)COc2ccc(N)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.37
TSHR P16473 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3R1 P27986 2/20 0.33
MTOR P42345 2/20 0.33
PLK1 P53350 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PRKCQ Q04759 1/20 0.32
THRB P10828 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL20703686 0.81 ALOX12 (0.43) TSHRALDH1A1LMNAGAA
SCHEMBL3592110 0.74 ALDH1A1 (0.34) HTTTSHRPIK3CDPIK3R1MTOR
SCHEMBL30991588 0.74 PDE3B (0.51) HTTTSHRLMNANPC1RAB9A
SCHEMBL653919 0.74 PDE3B (0.51) HTTTSHRLMNANPC1RAB9A
SCHEMBL10164948 0.73 PIK3CG (0.40) HTTTSHRPIK3CDPIK3R1MTOR
SCHEMBL10376218 0.73 HTT (0.44) HTTTSHRPLK1ALDH1A1ATAD2
SCHEMBL17076653 0.71 ATAD2 (0.52) HTTTSHRPLK1ALDH1A1ATAD2
SCHEMBL8879021 0.69 HTT (0.54) HTTTSHRPLK1ALDH1A1THRB
SCHEMBL13140225 0.68 KMO (0.51) HTTTSHRPIK3CDPIK3R1MTOR
SCHEMBL17807815 0.68 PIK3CD (0.41) HTTTSHRPIK3CDPIK3R1MTOR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263299-B1 BENZOXAZINES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-11-07 EP disclosed
US-4804394-A Benzoxazines and use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-02-14 US disclosed
EP-0263299-A1 Benzoxazines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-04-13 EP disclosed