SCHEMBL9713377

SCHEMBL9713377

CCOc1cccc(OCC)c1C(=O)Nc1cc(C(C)(C)C)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
LMNA P02545 1/20 0.37
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL9712722 0.86 TP53 (0.48) SMN1; SMN2TP53TSHRRXFP1MAPT
SCHEMBL9712911 0.80 ALDH1A1 (0.47) SMN1; SMN2TP53TSHRMAPTKDM4E
SCHEMBL9713624 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KCNK3KCNK9TP53TSHR
SCHEMBL9893167 0.72 SMN1; SMN2 (0.43) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL11119728 0.69 ABCC1 (0.38) SMN1; SMN2TP53TSHRGAARPS6KA2
SCHEMBL11124428 0.69 ALDH1A1 (0.47) SMN1; SMN2TP53MAPTMEN1GAA
SCHEMBL11119552 0.68 ALDH1A1 (0.50) SMN1; SMN2TP53TSHRMAPTMEN1
SCHEMBL9713651 0.68 TSHR (0.55) SMN1; SMN2TP53TSHRMAPTGAA
SCHEMBL9713315 0.66 MAPT (0.46) SMN1; SMN2KCNK3KCNK9TP53TSHR
SCHEMBL11105736 0.65 ALDH1A1 (0.49) SMN1; SMN2TP53TSHRMAPTMEN1

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