SCHEMBL8501872

SCHEMBL8501872

[CH2]c1nc2cc(S(C)(=O)=O)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.46
SCD O00767 9/20 0.43
CBFB Q13951 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FADS1 O60427 1/20 0.39

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
SCHEMBL8501874 0.81 NPBWR1 (0.47) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL10969202 0.80 FABP6 (0.47) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL8498390 0.80 NPBWR1 (0.46) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL23676506 0.78 KDM4E (0.51) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL16134723 0.78 L3MBTL1 (0.57) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL19312482 0.78 NPBWR1 (0.43) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL22531493 0.76 CACNA1H (0.44) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL11228163 0.75 SCD (0.42) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL12568424 0.75 NPBWR1 (0.79) NPBWR1SCDFADS1
SCHEMBL19312483 0.75 KDM4C (0.42) NPBWR1SCDCBFBKMT2A

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-0946559-A2 IMIDAZOPYRIDAZINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-10-06 EP disclosed
WO-1998028299-A2 IMIDAZOPYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-07-02 WO disclosed