SCHEMBL9713276

SCHEMBL9713276

CCC(C)(CC)c1nnc(NC(=O)c2c(SC)cccc2SC)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
PRNP P04156 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
OPRK1 P41145 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9713079 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL9712603 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9713044 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9713091 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9713494 0.81 ALDH1A1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9712817 0.79 SMN1; SMN2 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9712622 0.78 ALDH1A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9713041 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL11184965 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9713682 0.77 KMT2A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A

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