SCHEMBL11618482

SCHEMBL11618482

c1ccc(SC2(Sc3ccccc3)CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CYP2B6 P20813 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
PRCP P42785 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GRIN1 Q05586 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 1/20 0.35

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
SCHEMBL22701061 0.77 SLC6A4 (0.41) SLC6A4SLC6A3
SCHEMBL15484875 0.77
SCHEMBL2943296 0.77 GRM5 (0.37) SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL9322185 0.73 TSHR (0.37) MAPTHPGDSMN1; SMN2HSD17B10KCNH2
SCHEMBL3058072 0.73 SLC22A12 (0.48) SMN1; SMN2
SCHEMBL17041433 0.73 MAOA (0.34) MAPTSMN1; SMN2HSD17B10
SCHEMBL11619962 0.73 SLC6A4 (0.45) HPGDSLC6A2SLC6A4SLC6A3GRIN1
SCHEMBL11066307 0.71 SIGMAR1 (0.50) MAPTHSD17B10GRIN2DGRIN3BCYP2B6
SCHEMBL29159181 0.70 MAPT (0.32) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL104561 0.68 ALDH1A1 (0.40) MAPTHPGDSMN1; SMN2MGLLHSD17B10

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-4111873-A DITHIO COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1978-09-05 US disclosed