SCHEMBL8623456

SCHEMBL8623456

O=S1(=O)c2cnccc2N=CN1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGS1 P23219 4/20 0.32
PTGS2 P35354 3/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CYP11B2 P19099 1/20 0.31
NAMPT P43490 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CACNA1B Q00975 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
GAA P10253 1/20 0.30
RPS6KA5 O75582 1/20 0.30
KDM2B Q8NHM5 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
SCHEMBL8626449 0.69 NFATC1 (0.34)
SCHEMBL8623459 0.68 NPC1 (0.36) KDM4EALDH1A1MEN1KMT2ACYP3A4
SCHEMBL8626885 0.68 KDM4C (0.33) KDM4EALDH1A1MEN1KMT2ACYP11B2
SCHEMBL8627047 0.64 GRIA2 (0.56) KDM4EALDH1A1
SCHEMBL8624375 0.64 GRIA2 (0.56) KDM4EALDH1A1
SCHEMBL8623664 0.63 ALDH1A1 (0.33) KDM4EALDH1A1CACNA1BOPRM1OPRK1
SCHEMBL8625791 0.63 ALDH1A1 (0.33) KDM4EALDH1A1CACNA1BOPRM1OPRK1
SCHEMBL89180 0.62 EGFR (0.33) KDM4EALDH1A1MEN1KMT2A
SCHEMBL19252985 0.59 SIRT3 (0.32)
SCHEMBL9264880 0.59 CHRNB2 (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-0618209-B1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-12-23 EP disclosed
EP-0618209-A1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-10-05 EP disclosed