SCHEMBL19251432

SCHEMBL19251432

CCC1=Nc2sccc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19252631 0.77 PIK3CD (0.42) LMNATP53ALDH1A1
SCHEMBL19252650 0.76 PIK3R1 (0.39)
SCHEMBL19251605 0.71 LMNA (0.34) LMNATP53
SCHEMBL19252635 0.67 PIK3R1 (0.48) ALDH1A1
SCHEMBL14627845 0.57 CA9 (0.42) LMNATP53ALDH1A1
SCHEMBL10930503 0.56 CA12 (0.49) LMNAALDH1A1SMN1; SMN2
SCHEMBL6903338 0.55 HPGD (0.58) LMNA
SCHEMBL30367636 0.55 HPGD (0.58) LMNA
SCHEMBL21933495 0.54 LMNA (0.49) LMNAALDH1A1
Hydrogen Sulfide SCHEMBL29165723 0.54 HPGD (0.57) LMNA

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
WO-2017133655-A1 BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE 浙江大学 2017-08-10 WO disclosed