SCHEMBL9713289

SCHEMBL9713289

CCCCC(C)(CCC)c1nnc(NC(=S)c2c(C)cccc2C)s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.35
PDE4A P27815 1/20 0.34
ADORA1 P30542 1/20 0.34
HTR2B P41595 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33
PAX8 Q06710 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9713158 0.91 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9712974 0.80 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9712565 0.78 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9712822 0.78 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9712603 0.72 MEN1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9713015 0.72 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9712792 0.70 KDM4E (0.43) SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL9713041 0.69 MEN1 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL9713305 0.67 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL9713161 0.67 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 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