SCHEMBL9712822

SCHEMBL9712822

CCCCCC(C)(CC)c1nnc(NC(=S)c2c(OC)cccc2OC)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 4/20 0.43
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9713015 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712792 0.89 KDM4E (0.43) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713305 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712565 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712828 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712900 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713161 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9712858 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10ABL1RIN1
SCHEMBL9713289 0.78 SMN1; SMN2 (0.39) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9712974 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TSHRMAPT

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 5 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