SCHEMBL6553169

SCHEMBL6553169

CCN(c1ccc(C#N)cc1C#N)S(=O)(=O)c1cc(O)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
BRPF1 P55201 1/20 0.38
HCRTR2 O43614 3/20 0.37
HCRTR1 O43613 1/20 0.37
FFAR1 O14842 1/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL6553128 0.77 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL6553234 0.70 HSD11B1 (0.36) POLBLMNAKCNJ6KCNJ5KCNJ3
SCHEMBL9340848 0.70 ALDH1A1 (0.52) POLBTDP1L3MBTL1LMNAMAPT
SCHEMBL6555483 0.70 ALDH1A1 (0.50) ESR1NSD2POLBAPEX1RECQL
SCHEMBL6554650 0.70 MAPT (0.40) APEX1KCNJ6KCNJ5KCNJ3BRPF1
SCHEMBL6553206 0.69 ALDH1A1 (0.44) ESR1NSD2POLBAPEX1RECQL
SCHEMBL6553202 0.68 HSD11B1 (0.45) ESR1POLBESR2LMNAKCNJ6
SCHEMBL6554755 0.68 ALDH1A1 (0.47) APEX1L3MBTL1LMNAPIK3CAPIK3CD
SCHEMBL6554818 0.67 ALDH1A1 (0.46) APEX1L3MBTL1LMNAPIK3CAPIK3CD
SCHEMBL9634441 0.66 HPGD (0.41) ESR1NSD2POLBAPEX1RECQL

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
EP-1174028-B1 SULFONAMIDE DERIVATIVES SUMITOMO CHEM TAKEDA AGRO CO (JP) 2004-12-22 EP claimed