SCHEMBL8715796

SCHEMBL8715796

CC(C)CNC1=Nc2cc(Cl)sc2SN1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8715780 0.80 HCAR3 (0.33) SMN1; SMN2TDP1
SCHEMBL8716302 0.79
SCHEMBL8476120 0.72 ABCC8 (0.40) ESR1SMN1; SMN2TDP1
SCHEMBL8719192 0.70 ESR1 (0.30) ESR1
SCHEMBL7069104 0.69 ESR1 (0.36) ESR1
SCHEMBL8719348 0.63
SCHEMBL7078582 0.61 ABCC8 (0.42) ESR1SMN1; SMN2TDP1
SCHEMBL8716322 0.61 LIMK1 (0.32) ESR1
SCHEMBL7069749 0.59 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL7075500 0.59 ABCC8 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876379-A1 FUSED 1,2,4-THIADIAZINE AND FUSED 1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-11-11 EP disclosed
WO-1997026265-A1 FUSED 1,2,4-THIADIAZINE AND FUSED 1,4-THIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-07-24 WO disclosed