SCHEMBL11744987

SCHEMBL11744987

CCCN(CCC)C(=O)SCc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
TAAR1 Q96RJ0 3/20 0.47
LMNA P02545 2/20 0.47
IDO1 P14902 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL11748469 0.91 LMNA (0.48) SMN1; SMN2HTTTAAR1LMNAIDO1
SCHEMBL66777 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HTTTAAR1LMNAIDO1
SCHEMBL29620133 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HTTTAAR1LMNAIDO1
SCHEMBL11745454 0.83 TSHR (0.49) SMN1; SMN2HTTLMNATSHRMAPK1
SCHEMBL11747697 0.82 TSHR (0.49) SMN1; SMN2HTTIDO1TSHRMAPK1
SCHEMBL11746949 0.82 TSHR (0.47) SMN1; SMN2TAAR1TSHRMAPK1TP53
Prosulfocarb SCHEMBL20845 0.78 TSHR (0.53) SMN1; SMN2LMNAIDO1TSHRMAPK1
Prosulfocarb SCHEMBL5799225 0.78 TSHR (0.53) SMN1; SMN2LMNAIDO1TSHRMAPK1
Prosulfocarb SCHEMBL22443002 0.76 TSHR (0.52) SMN1; SMN2LMNAIDO1TSHRMAPK1
Prosulfocarb SCHEMBL8981823 0.76 TSHR (0.52) SMN1; SMN2TAAR1LMNAIDO1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4029490-A BENZYLTHIOLCARBAMATE ISHIHARA SANGYO KAISHA LTD. (JA) 1977-06-14 US disclosed