SCHEMBL9712582

SCHEMBL9712582

CCC(C)(CC)c1nnc(N)s1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 1/20 0.33
FBP1 P09467 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL22736874 0.83 ALDH1A1 (0.50) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL4080293 0.77 ALDH1A1 (0.48) ALDH1A1POLBPTGS1PTGS2GAA
SCHEMBL282538 0.77 ALDH1A1 (0.58) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL14134778 0.76 TP53 (0.33) TP53SMN1; SMN2
SCHEMBL3902817 0.75 ALDH1A1 (0.47) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL11908943 0.75 ALDH1A1 (0.47) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL19890809 0.73 ALDH1A1 (0.54) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL15349261 0.73 ALDH1A1 (0.67) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL3905026 0.72 ALDH1A1 (0.48) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL1691131 0.72 ALDH1A1 (0.48) ALDH1A1POLBKDM4ENPC1RAB9A

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