SCHEMBL9712815

SCHEMBL9712815

CSCC(C)(C)c1nnc(N)s1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
FBP1 P09467 1/20 0.34
POLB P06746 2/20 0.33
GLS O94925 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.31

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 0.78 ALDH1A1 (0.50) ALDH1A1FBP1POLBKDM4ENPC1
SCHEMBL1691131 0.76 ALDH1A1 (0.48) ALDH1A1FBP1POLBGLSKDM4E
SCHEMBL3905026 0.76 ALDH1A1 (0.48) ALDH1A1FBP1POLBGLSKDM4E
SCHEMBL3903407 0.76 ALDH1A1 (0.44) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL3902817 0.74 ALDH1A1 (0.47) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL11216278 0.74 ALDH1A1 (0.50) ALDH1A1FBP1POLBGLSKDM4E
SCHEMBL9712886 0.73 ALDH1A1 (0.45) ALDH1A1FBP1POLBKDM4ENPC1
SCHEMBL3901800 0.73 ALDH1A1 (0.45) ALDH1A1FBP1POLBKDM4ENPC1
SCHEMBL282538 0.72 ALDH1A1 (0.58) ALDH1A1FBP1POLBKDM4ENPC1
SCHEMBL9713029 0.72 ALDH1A1 (0.34) ALDH1A1

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