SCHEMBL9712974

SCHEMBL9712974

CCCC(C)(CC)c1nnc(NC(=S)c2c(CC)cccc2CC)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
LMNA P02545 3/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.38
PDE4A P27815 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR2B P41595 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 3/20 0.34
HTT P42858 3/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9713041 0.87 MEN1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9713044 0.80 MEN1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9713289 0.80 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9712822 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9713015 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9712565 0.76 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9713161 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11105736 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9713158 0.74 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9712603 0.72 MEN1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA

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