SCHEMBL8719112

SCHEMBL8719112

CCCCNC1=Nc2cnncc2SN1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
MMP3 P08254 1/20 0.31
ELANE P08246 1/20 0.30
BCHE P06276 1/20 0.30
TRPC3 Q13507 1/20 0.30
TRPC4 Q9UBN4 1/20 0.30
TRPC5 Q9UL62 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
SCHEMBL8719192 0.78 ESR1 (0.30)
SCHEMBL8720962 0.72 BCHE (0.35) ELANEBCHETRPC3TRPC4TRPC5
SCHEMBL8716298 0.70 MMP3 (0.31) SMN1; SMN2MMP3
SCHEMBL8477302 0.69 HCAR3 (0.31)
SCHEMBL8716380 0.68 TLR8 (0.34) SMN1; SMN2ELANEBCHETRPC3TRPC4
SCHEMBL8715828 0.61 MAPT (0.30)
SCHEMBL8716334 0.58 LIMK1 (0.31) ELANE
SCHEMBL23133067 0.55 SMN1; SMN2 (0.35) SMN1; SMN2ELANE
SCHEMBL12571300 0.54 TSHR (0.59) SMN1; SMN2
SCHEMBL24846527 0.54 HCAR3 (0.37) SMN1; SMN2MMP3

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