SCHEMBL9712944

SCHEMBL9712944

COc1cc(OC)c(C(=O)Nc2cc(C(C)(C)C)no2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
RAF1 P04049 3/20 0.48
BRAF P15056 3/20 0.48
MAPK14 Q16539 4/20 0.46
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL9713224 0.88 ALDH1A1 (0.41) ALDH1A1RAF1BRAFMAPK14TSHR
SCHEMBL9712601 0.87 CYP1A2 (0.57) ALDH1A1RAF1BRAFMAPK14TSHR
SCHEMBL9713121 0.84 ALDH1A1 (0.56) ALDH1A1RAF1BRAFMAPK14CNR2
SCHEMBL9712726 0.84 NPC1 (0.60) ALDH1A1RAF1BRAFTSHRMEN1
SCHEMBL9712751 0.81 CYP1A2 (0.51) ALDH1A1RAF1BRAFMAPK14CNR2
SCHEMBL9713154 0.79 ALDH1A1 (0.52) ALDH1A1RAF1BRAFMAPK14MEN1
SCHEMBL9712607 0.78 CYP1A2 (0.55) ALDH1A1RAF1BRAFMAPK14CYP1A2
SCHEMBL9713410 0.78 CYP1A2 (0.55) ALDH1A1RAF1BRAFMAPK14TSHR
SCHEMBL11732172 0.76 ALDH1A1 (0.67) ALDH1A1RAF1BRAFMAPK14CNR2
SCHEMBL9713197 0.76 ALDH1A1 (0.58) ALDH1A1RAF1MAPK14CNR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed