SCHEMBL7968012

SCHEMBL7968012

O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
NR3C2 P08235 5/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PARP1 P09874 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL10491107 0.76 MAPT (0.46) TP53MAPTTHRBNR3C2ALDH1A1
SCHEMBL9693069 0.76 GRM7 (0.37)
SCHEMBL9843624 0.76 MAPT (0.43) TP53MAPTTHRBNR3C2ALDH1A1
SCHEMBL4049030 0.75 MMP12 (0.54) TP53MAPTTHRBNR3C2ALDH1A1
SCHEMBL9342748 0.75 RAF1 (0.40) TP53MAPTTHRBNR3C2ALDH1A1
SCHEMBL9837061 0.75 MAPT (0.39) TP53MAPTTHRBNR3C2KMT2A
SCHEMBL7556723 0.75 MMP12 (0.46) TP53MAPTTHRBNR3C2ALDH1A1
SCHEMBL9642306 0.74 GRM7 (0.38)
SCHEMBL9599303 0.74 NR3C2 (0.38) NR3C2ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL8878643 0.74 TRPV1 (0.40) TP53MAPTTHRBNR3C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63068587-A None JP disclosed
US-6294503-B1 HERBICIDAL COMPOSITIONS CONTAINING HETEROCYCLES ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-09-25 US disclosed
EP-0296416-B1 BENZO-ANELLATED CYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1992-07-29 EP disclosed
US-5077401-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-12-31 US disclosed
EP-0263299-B1 BENZOXAZINES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-11-07 EP disclosed
US-4902335-A Benzo-fused cyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-02-20 US disclosed
US-4804394-A Benzoxazines and use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-02-14 US disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed
EP-0263299-A1 Benzoxazines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-04-13 EP disclosed
JP-S6368587-A TETRAHYDROPHTHALIMIDES AND HERBICIDE NIPPON TOKUSHU NOYAKU SEIZO KK 1988-03-28 JP disclosed