SCHEMBL21695808

SCHEMBL21695808

CN(C)[S+]([O-])c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MAPK1 P28482 2/20 0.50
GPR35 Q9HC97 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL8159792 0.81 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1GPR35TP53
SCHEMBL7108888 0.81 SMN1; SMN2 (0.58) ALDH1A1HPGDMAPK1GPR35TP53
SCHEMBL21695800 0.77 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1GPR35TP53
SCHEMBL21695798 0.75 GPR35 (0.42) ALDH1A1HPGDMAPK1GPR35ALOX15
SCHEMBL15847135 0.74 MAPK1 (0.50) ALDH1A1HPGDMAPK1GPR35TP53
SCHEMBL11197700 0.74 MAPK1 (0.50) ALDH1A1HPGDMAPK1GPR35TP53
SCHEMBL305116 0.73 MAPT (0.61) ALDH1A1HPGDMAPK1GPR35TP53
SCHEMBL9318675 0.72 ALDH1A1 (0.44) ALDH1A1HPGDMAPK1GPR35TP53
SCHEMBL306096 0.70 TSHR (0.67) ALDH1A1HPGDMAPK1GPR35TP53
SCHEMBL2801920 0.70 GPR35 (0.62) ALDH1A1HPGDMAPK1GPR35TP53

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-4218766-A1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS Incyte Holdings Corporation (US) 2023-08-02 EP disclosed
EP-3674302-A1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS Incyte Corporation (US) 2020-07-01 EP disclosed
EP-3134403-B1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE CORP (US) 2020-02-12 EP disclosed