SCHEMBL9712949

SCHEMBL9712949

COc1cccc(OC)c1C(=O)Nc1nnc(C2CCCC2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.64
ALDH1A1 P00352 10/20 0.60
KDM4E B2RXH2 3/20 0.60
HSD17B10 Q99714 2/20 0.60
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 3/20 0.57
PPARG P37231 1/20 0.57
NCOA2 Q15596 1/20 0.57
NCOA1 Q15788 1/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ABL1 P00519 1/20 0.56
RIN1 Q13671 1/20 0.56
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CASP3 P42574 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
SCHEMBL9713059 0.99 TP53 (0.62) TP53ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL9712780 0.99 TP53 (0.62) TP53ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL9713978 0.98 TP53 (0.64) TP53ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL9712927 0.95 TP53 (0.67) TP53ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL9713225 0.84 TP53 (0.61) TP53ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL9713404 0.81 ALDH1A1 (0.69) TP53ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL20828486 0.80 GLS (0.63) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9713232 0.79 TP53 (0.58) TP53ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL20392305 0.79 GLS (0.65) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL9713159 0.78 TP53 (1.00) TP53ALDH1A1KDM4EHSD17B10RAB9A

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