SCHEMBL9713451

SCHEMBL9713451

COc1cccc(OC)c1C(=O)Nc1cc(C(C)C)no1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 1/20 0.59
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
BRAF P15056 2/20 0.50
LMNA P02545 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
RAF1 P04049 1/20 0.47
BRPF1 P55201 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27605122 0.88 CYP1A2 (0.54) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9712888 0.86 CYP1A2 (0.55) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9713371 0.85 CYP1A2 (0.51) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL11254497 0.85 CYP1A2 (0.54) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9712915 0.84 CYP3A4 (0.65) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL16011721 0.84 CYP1A2 (0.50) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL11102590 0.84 CYP1A2 (0.50) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL4281504 0.82 CYP1A2 (0.51) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9712883 0.81 CYP1A2 (0.57) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9712601 0.81 CYP1A2 (0.57) CYP1A2CYP2C19CYP3A4ALDH1A1SMN1; SMN2

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