SCHEMBL7813445

SCHEMBL7813445

N#Cc1cccc2cccc(S(=O)(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.47
FABP4 P15090 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK14 Q16539 1/20 0.47
NR4A1 P22736 1/20 0.46
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
POLB P06746 1/20 0.38
KAT6A Q92794 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
ATIC P31939 1/20 0.36
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL23909578 0.84 CA2 (0.48) CDK2HTTALDH1A1CA1CA2
SCHEMBL23909570 0.82 HTT (0.42) HTTALDH1A1CA1CA2SLC40A1
SCHEMBL11152838 0.81 ALDH1A1 (0.44) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1742117 0.80 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL3877411 0.79 ALDH1A1 (0.58) HTTALDH1A1SLC40A1POLBKAT6A
SCHEMBL31194881 0.79 ALDH1A1 (0.58) HTTALDH1A1SLC40A1POLBKAT6A
SCHEMBL12212875 0.79 ALDH1A1 (0.36) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8676980 0.78 ALDH1A1 (0.44) TTRHTTALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL27577247 0.77 ALDH1A1 (0.56) HTTALDH1A1SLC40A1POLBKAT6A
SCHEMBL5243474 0.76 TTR (0.55) TTRCDK2HTTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110250509-A1 SECONDARY BATTERY AND ELECTRONIC DEVICE SONY CORPORATION (JP) 2011-10-13 US disclosed
US-20110250509-A1 SECONDARY BATTERY AND ELECTRONIC DEVICE SONY CORPORATION (JP) 2011-10-13 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed