SCHEMBL8625940

SCHEMBL8625940

CCC(CC)C1Nc2ccncc2S(=O)(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL8627681 0.84 NAMPT (0.36) NAMPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL8623194 0.78 TDP1 (0.44) NAMPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL8630809 0.76 KDM4E (0.54) NAMPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL8628280 0.76 HTR1A (0.35) NAMPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL8625238 0.72 TDP1 (0.36) NAMPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL8624536 0.67 SPR (0.36) NAMPTCYP1A2
SCHEMBL8626262 0.62 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL8557791 0.62 GRIA1 (0.34)
SCHEMBL8623987 0.61 CA12 (0.40) NAMPTKDM4EALDH1A1CA12CA1
SCHEMBL8625999 0.60 CA12 (0.59) NAMPTCA12CA1CA2CA9

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