SCHEMBL9712643

SCHEMBL9712643

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.51
RAF1 P04049 5/20 0.51
ALDH1A1 P00352 1/20 0.48
MAPK14 Q16539 4/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 2/20 0.39

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
SCHEMBL9712698 0.88 BRAF (0.41) BRAFRAF1ALDH1A1MAPK14CYP1A2
SCHEMBL9713900 0.88 MAPK14 (0.50) BRAFRAF1ALDH1A1MAPK14CYP1A2
SCHEMBL9712601 0.86 CYP1A2 (0.57) BRAFRAF1ALDH1A1MAPK14CYP1A2
SCHEMBL9712713 0.86 BRAF (0.40) BRAFRAF1ALDH1A1MAPK14CYP1A2
SCHEMBL9712694 0.84 BRAF (0.39) BRAFRAF1MAPK14CYP1A2CYP3A4
SCHEMBL9713420 0.82 CYP1A2 (0.38) BRAFRAF1MAPK14CYP1A2CYP3A4
SCHEMBL9712627 0.82 CYP1A2 (0.38) BRAFRAF1MAPK14CYP1A2CYP3A4
SCHEMBL9712919 0.82 CNR2 (0.42) BRAFRAF1MAPK14CYP1A2CYP3A4
SCHEMBL9712882 0.82 ALDH1A1 (0.39) BRAFRAF1ALDH1A1CYP1A2CYP3A4
SCHEMBL9712751 0.80 CYP1A2 (0.51) BRAFRAF1ALDH1A1MAPK14CYP1A2

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 6 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
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed