SCHEMBL9712908

SCHEMBL9712908

COc1cccc(OC)c1C(=S)Nc1nnc(C2(C)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
NPC1 O15118 8/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
AHR P35869 1/20 0.38
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
GLS O94925 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL9713628 0.87 ALDH1A1 (0.40) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9712920 0.85 TP53 (0.65) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713075 0.82 ALDH1A1 (0.44) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713072 0.81 TP53 (0.62) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713565 0.81 TP53 (0.62) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9712856 0.80 TP53 (0.61) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9712900 0.73 ALDH1A1 (0.49) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713253 0.73 ALDH1A1 (0.52) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9713288 0.73 ALDH1A1 (0.38) TP53KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9712663 0.73 ALDH1A1 (0.38) TP53KDM4EALDH1A1HSD17B10MAPT

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