SCHEMBL9712640

SCHEMBL9712640

COc1cccc(OC)c1C(=O)Nc1nc(C(C)(C)C)ns1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 6/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 5/20 0.49
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
MAPK1 P28482 2/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 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
SCHEMBL9712779 0.76 TP53 (0.43) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9713321 0.75 TP53 (0.70) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9712722 0.74 TP53 (0.48) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9712907 0.74 CYP1A2 (0.54) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9712941 0.72 ALDH1A1 (0.67) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL23966912 0.71 CCNE1 (0.48) TP53ALDH1A1KDM4EMAPTMAPK1
SCHEMBL9713274 0.71 TP53 (0.67) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9892988 0.71 SMN1; SMN2 (0.49) TP53ALDH1A1HSD17B10MAPTMAPK1
SCHEMBL16078340 0.70 RAB9A (0.64) TP53ALDH1A1KDM4EMAPTPPARG
SCHEMBL11241140 0.70 TYK2 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A

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