SCHEMBL8623804

SCHEMBL8623804

CC(C)CNC1=NS(=O)(=O)c2cnccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MKNK1 Q9BUB5 1/20 0.31
NAMPT P43490 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
ABCC8 Q09428 1/20 0.31

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
SCHEMBL6618114 0.87 UTS2R (0.32) KDM6BKDM4CLATS1LATS2CA12
SCHEMBL8626480 0.82 CA12 (0.36) LATS1LATS2CA12CA1CA2
SCHEMBL721210 0.82 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL6616243 0.82 CA12 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL6618488 0.82 ALDH1A1 (0.32) CA12CA1CA2CA9ALDH1A1
Water SCHEMBL8623502 0.82 KDM4C (0.38) KDM6BKDM4CLATS1LATS2CA12
SCHEMBL8626608 0.81 KDM6B (0.41) KDM6BKDM4CLATS1LATS2CA12
SCHEMBL4264934 0.81 LATS1 (0.40) LATS1LATS2CA12CA1CA2
SCHEMBL6619220 0.80 CA12 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL2341320 0.80 CA12 (0.34) CA12CA1CA2CA9ALDH1A1

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