SCHEMBL9713121

SCHEMBL9713121

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAF1 P04049 2/20 0.48
MAPK14 Q16539 4/20 0.48
ALPL P05186 1/20 0.45
CNR2 P34972 1/20 0.44
BRAF P15056 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
RPS6KA2 Q15349 1/20 0.43

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
SCHEMBL9712944 0.84 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ARXFP1MAPT
SCHEMBL9712788 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL9713154 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ARXFP1MAPT
SCHEMBL27070118 0.79 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL9712726 0.79 NPC1 (0.60) ALDH1A1MEN1KMT2ARXFP1MAPT
SCHEMBL9712876 0.78 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2ARXFP1MAPT
SCHEMBL11732172 0.78 ALDH1A1 (0.67) ALDH1A1RAF1MAPK14CNR2BRAF
SCHEMBL13234521 0.78 KMT2A (0.53) ALDH1A1MEN1KMT2ARXFP1MAPT
SCHEMBL13234433 0.76 RAF1 (0.74) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9712601 0.76 CYP1A2 (0.57) ALDH1A1MAPTSMN1; SMN2RAF1MAPK14

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