SCHEMBL8628232

SCHEMBL8628232

CC(C)N1CNc2ccncc2S1(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.38
ADAM17 P78536 3/20 0.38
MMP2 P08253 2/20 0.38
MMP1 P03956 1/20 0.31
NFATC1 O95644 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 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
SCHEMBL8631587 0.80 CA7 (0.43) GSK3BKDM4CCYP3A4
SCHEMBL9261326 0.75 FFAR4 (0.33) NFATC1GSK3BDYRK1ACYP3A4CYP2D6
SCHEMBL9257345 0.72 FFAR4 (0.33) NFATC1GSK3BDYRK1ACYP3A4CYP2D6
SCHEMBL8623915 0.72 PTPN1 (0.36) CYP3A4
SCHEMBL8625943 0.71 GAA (0.35)
SCHEMBL8626885 0.70 KDM4C (0.33) KDM4C
SCHEMBL24669482 0.66 USP2 (0.32) NFATC1GSK3BDYRK1ACYP3A4CYP2D6
SCHEMBL8556566 0.66 GRIA2 (0.35) CYP3A4CYP2D6TSHR
SCHEMBL8557791 0.65 GRIA1 (0.34)
SCHEMBL6618431 0.65 NAMPT (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618209-B1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-12-23 EP disclosed
US-5459138-A Dysfunctions of glutamatergic neurotransmission associated with learning and memory ADIR ET COMPAGNIE (FR) 1995-10-17 US disclosed
EP-0618209-A1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-10-05 EP disclosed