SCHEMBL9713682

SCHEMBL9713682

CCC(C)(CC)c1nnc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 4/20 0.45
RXFP1 Q9HBX9 2/20 0.44
PRNP P04156 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TTR P02766 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL9713091 0.89 MEN1 (0.53) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9713074 0.86 TAS1R3 (0.48) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9713316 0.81 MAPT (0.63) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9712603 0.80 MEN1 (0.54) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9713044 0.80 MEN1 (0.54) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9713494 0.77 ALDH1A1 (0.67) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9713276 0.77 MEN1 (0.51) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9712817 0.77 SMN1; SMN2 (0.59) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9713450 0.74 ALDH1A1 (0.50) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL9713041 0.74 MEN1 (0.50) KMT2AMEN1RAB9AALDH1A1NPC1

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