SCHEMBL27801700

SCHEMBL27801700

O=C1NC(S(=O)(=O)O)Nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 8/20 0.49
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 7/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.43
NPC1 O15118 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PDGFRA P16234 1/20 0.42
FER P16591 1/20 0.42
LTK P29376 1/20 0.42

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
SCHEMBL27458092 0.84 CREBBP (0.38) TNKS2KMT2AGAAMAPTALDH1A1
SCHEMBL8507044 0.81 TNKS2 (0.49) TNKS2KMT2AGAAMAPTALDH1A1
SCHEMBL27558447 0.77 TSHR (0.33) TSHR
SCHEMBL28754030 0.76 TGM2 (0.49) KMT2AMEN1MAPK1CYP1A2LRRK2
SCHEMBL19465426 0.72 TNKS2 (0.55) TNKS2KMT2AGAAMAPTALDH1A1
SCHEMBL27599803 0.70 CES1 (0.34) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1708833 0.70 TNKS2 (0.57) TNKS2KMT2AGAAALDH1A1KDM4E
SCHEMBL8143860 0.69 TNKS2 (0.56) TNKS2KMT2AGAAMAPTALDH1A1
SCHEMBL1075473 0.68 TNKS2 (0.55) TNKS2KMT2AGAAMAPTALDH1A1
SCHEMBL20510203 0.68 TNKS2 (0.55) TNKS2KMT2AGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679314-A The double inhibition compound of enzyme PDE7 and/or PDE4, medical composition and its use CONSEJO SUPERIOR INVESTIGACION 2010-03-24 CN disclosed