SCHEMBL9712663

SCHEMBL9712663

CCOc1cccc(OCC)c1C(=S)Nc1nnc(C2(CC)CCCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLS O94925 3/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 4/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
NTSR1 P30989 1/20 0.33
ALOX12 P18054 1/20 0.33
PKM P14618 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
SCHEMBL9713288 0.98 ALDH1A1 (0.38) ALDH1A1LMNAGAATP53USP2
SCHEMBL9713075 0.89 ALDH1A1 (0.44) ALDH1A1TP53MEN1KMT2AHPGD
SCHEMBL9713543 0.87 ALDH1A1 (0.49) ALDH1A1LMNAGAATP53USP2
SCHEMBL9713628 0.86 ALDH1A1 (0.40) ALDH1A1LMNAGAATP53USP2
SCHEMBL9713264 0.85 ALDH1A1 (0.49) ALDH1A1LMNAGAATP53USP2
SCHEMBL9713145 0.78 ALDH1A1 (0.47) ALDH1A1LMNAGAATP53USP2
SCHEMBL9713248 0.77 ALDH1A1 (0.61) ALDH1A1GAATP53HPGDSMN1; SMN2
SCHEMBL9713417 0.77 ALDH1A1 (0.60) ALDH1A1TP53MEN1KMT2AHPGD
SCHEMBL9712743 0.77 ALDH1A1 (0.60) ALDH1A1TP53MEN1KMT2AHPGD
SCHEMBL9713333 0.73 ALDH1A1 (0.47) ALDH1A1LMNAGAAUSP2MEN1

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