SCHEMBL9712658

SCHEMBL9712658

CCCCCCC(CC)c1nnc(NC(=S)c2c(OC)cccc2OC)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MIF P14174 1/20 0.42
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
GAPDH P04406 1/20 0.39
PTPN7 P35236 1/20 0.39
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 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
SCHEMBL9713102 0.88 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9712936 0.83 ALDH1A1 (0.67) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9713559 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9712840 0.80 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11242366 0.79 ALDH1A1 (0.69) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9712792 0.76 KDM4E (0.43) KDM4EALDH1A1HSD17B10ABL1RIN1
SCHEMBL9717751 0.75 PPARA (0.37) KDM4EALDH1A1HSD17B10
SCHEMBL9712628 0.75 CYP1A2 (0.37) ALDH1A1MEN1KMT2ATP53NPC1
SCHEMBL11096163 0.75 ALDH1A1 (0.70) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9712625 0.75 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10MEN1KMT2A

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