SCHEMBL9713158

SCHEMBL9713158

CCCCC(C)(CCC)c1nnc(NC(=S)c2c(C)cccc2SC)s1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
PDE4A P27815 1/20 0.31
ADORA1 P30542 1/20 0.31
HTR2B P41595 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP1A2 P05177 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
SCHEMBL9713289 0.91 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9712974 0.74 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9712822 0.72 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9713276 0.71 MEN1 (0.51) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9712603 0.67 MEN1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9713015 0.67 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9712792 0.65 KDM4E (0.43) SMN1; SMN2ALDH1A1RAB9A
SCHEMBL9713079 0.64 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9713041 0.64 MEN1 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9713161 0.62 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1

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