SCHEMBL8501874

SCHEMBL8501874

Cc1nc2cc(S(C)(=O)=O)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.47
SCD O00767 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CBFB Q13951 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSP90AA1 P07900 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41

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
SCHEMBL17702662 0.86 NPBWR1 (0.61) NPBWR1SCDMEN1KMT2ACBFB
SCHEMBL4318643 0.85 HDAC6 (0.46) MEN1KMT2AALDH1A1HSP90AA1ESR2
SCHEMBL14493326 0.85 MAPT (0.51) MEN1KMT2AALDH1A1HSP90AA1ESR2
Hydrochloric Acid SCHEMBL32662723 0.83 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HSP90AA1ESR2
SCHEMBL11371864 0.82 TAS2R14 (0.54) MEN1KMT2AALDH1A1HSP90AA1ESR2
SCHEMBL10969202 0.81 FABP6 (0.47) NPBWR1SCDMEN1KMT2ACBFB
SCHEMBL8498390 0.81 NPBWR1 (0.46) NPBWR1SCDMEN1KMT2ACBFB
SCHEMBL8501872 0.81 NPBWR1 (0.46) NPBWR1SCDMEN1KMT2ACBFB
SCHEMBL1108964 0.81 TYMS (0.48) NPBWR1MEN1KMT2AALDH1A1HSP90AA1
SCHEMBL15381368 0.81 POLB (0.54) MEN1KMT2AALDH1A1HSP90AA1ESR2

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