SCHEMBL9712927

SCHEMBL9712927

COc1cccc(OC)c1C(=O)Nc1nnc(C2CC2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 5/20 0.62
HSD17B10 Q99714 2/20 0.62
MAPT P10636 2/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
ABL1 P00519 1/20 0.58
RIN1 Q13671 1/20 0.58
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 3/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
BRD4 O60885 1/20 0.55

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
SCHEMBL9712949 0.95 TP53 (0.64) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9713978 0.95 TP53 (0.64) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9712780 0.94 TP53 (0.62) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9713059 0.94 TP53 (0.62) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9713225 0.83 TP53 (0.61) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9713159 0.80 TP53 (1.00) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9713404 0.78 ALDH1A1 (0.69) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL11392338 0.77 NPC1 (0.77) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9713599 0.77 ALDH1A1 (1.00) TP53ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9713321 0.77 TP53 (0.70) TP53ALDH1A1KDM4EHSD17B10MAPT

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