SCHEMBL9830281

SCHEMBL9830281

CCCN1C(=O)C(C)(C)Oc2ccc(N3C(=O)C(C)=C(C)C3=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
REN P00797 5/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 3/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13091047 0.83 ALDH1A1 (0.47) ALDH1A1MAPTRECQLRENUSP2
SCHEMBL9830889 0.79 REN (0.46) ALDH1A1MAPTRECQLRENUSP2
SCHEMBL9832981 0.78 HTT (0.49) ALDH1A1USP2TSHRPOLBGAA
SCHEMBL9830973 0.77 TSHR (0.46) ALDH1A1RENTSHRNPSR1CYP1A2
SCHEMBL16601598 0.75 ALDH1A1 (0.40) ALDH1A1MAPTRECQLRENUSP2
SCHEMBL89091 0.74 REN (0.46) ALDH1A1MAPTRECQLRENUSP2
SCHEMBL8039164 0.73 ALDH1A1 (0.60) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL89392 0.72 MAPT (0.45) ALDH1A1MAPTRECQLRENUSP2
SCHEMBL13960946 0.71 ALDH1A1 (0.37) ALDH1A1MAPTRECQLRENUSP2
SCHEMBL89090 0.71 MAPT (0.48) ALDH1A1MAPTRECQLRENUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4729784-A 1-(1,4-benzoxazin-3-on-6-yl)-dialkylmaleimides and use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-08 US claimed
EP-0255601-B1 DIALKYLNALEINIMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 1991-09-11 EP disclosed
US-4729784-A 1-(1,4-benzoxazin-3-on-6-yl)-dialkylmaleimides and use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-08 US disclosed
EP-0255601-A2 Dialkylnaleinimides, process for their preparation and their use as herbicide NIHON BAYER AGROCHEM K.K. (JP) 1988-02-10 EP disclosed