SCHEMBL9712871

SCHEMBL9712871

CCCOc1cccc(OCCC)c1C(=S)Nc1nc(C(C)(CC)CC)ns1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.33
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
GRM5 P41594 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ABL1 P00519 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 3/20 0.31
PDE5A O76074 1/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
NLRP1 Q9C000 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9712779 0.87 TP53 (0.43) TP53TSHRSMN1; SMN2ABL1TRPV1
SCHEMBL9712903 0.74 TSHR (0.35) MCHR1TP53TSHRGRM5SMN1; SMN2
SCHEMBL9713015 0.67 ALDH1A1 (0.48) TP53TSHRSMN1; SMN2ABL1NPC1
SCHEMBL9713361 0.66 ALDH1A1 (0.39) TP53TSHRSMN1; SMN2ABL1NPC1
SCHEMBL9712822 0.64 ALDH1A1 (0.43) TP53TSHRSMN1; SMN2ABL1NPC1
SCHEMBL9712935 0.63 TSHR (0.49) TP53TSHRSMN1; SMN2TRPV1NPC1
SCHEMBL9713333 0.63 ALDH1A1 (0.47) TSHRSMN1; SMN2ABL1NPC1RAB9A
SCHEMBL9713207 0.61 SMN1; SMN2 (0.34) TSHRSMN1; SMN2ABL1MEN1KMT2A
SCHEMBL9712698 0.60 BRAF (0.41) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9713311 0.59 CA9 (0.50) TP53TSHRSMN1; SMN2NPC1RAB9A

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