SCHEMBL9118024

SCHEMBL9118024

Cn1c(=O)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
HSD17B13 Q7Z5P4 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 3/20 0.47
ADORA2B P29275 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK14 Q16539 2/20 0.46
NOTUM Q6P988 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL19359494 0.81 TSHR (0.50) CYP3A4HSD17B13SMN1; SMN2KDM4EADORA2B
SCHEMBL27383559 0.81 HSD17B13 (0.51) CYP3A4HSD17B13TP53
SCHEMBL19359478 0.80 FAAH (0.49) KDM4EGSK3AGSK3BLMNA
SCHEMBL5800712 0.80 HPGD (0.49) CYP3A4SMN1; SMN2HTTKDM4ETP53
SCHEMBL4494422 0.79 MAPK14 (0.46) CYP3A4SMN1; SMN2HTTKDM4ETP53
SCHEMBL27478800 0.78 F2 (0.54) SMN1; SMN2HTTKDM4ETP53CYP2D6
SCHEMBL7521742 0.78 HTT (0.45) SMN1; SMN2HTTKDM4ETP53CYP2D6
SCHEMBL27422651 0.78 MAPK14 (0.47) SMN1; SMN2HTTKDM4ETP53CYP2D6
SCHEMBL8301883 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HTTKDM4ETP53CYP2D6
SCHEMBL13947776 0.77 HSD17B13 (0.43) HSD17B13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5418231-A Pyrimido-benzothiazines PFIZER INC. (US) 1995-05-23 US disclosed
EP-0566592-B1 Pyrimido-benzothiazines with lipoxygenase inhibitory action PFIZER (US) 1994-09-14 EP disclosed
EP-0566592-A1 NOVEL PYRIMIDO-BENZOTHIAZINES. PFIZER (US) 1993-10-27 EP disclosed
WO-1992012161-A1 NOVEL PYRIMIDO-BENZOTHIAZINES PFIZER INC. (US) 1992-07-23 WO disclosed