SCHEMBL5697206

SCHEMBL5697206

C=CCNS(=O)(=O)c1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HIF1A Q16665 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL1140103 0.77 ALDH1A1 (0.41) KDM4ECYP2C9KMT2AALDH1A1LMNA
SCHEMBL483343 0.77 ALDH1A1 (0.43) MAPK1KDM4ECYP2C9SMN1; SMN2KMT2A
SCHEMBL4061705 0.75 ALDH1A1 (0.42) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL5051601 0.75 CA12 (0.46) TSHRMAPK1KDM4ECYP2C9SMN1; SMN2
SCHEMBL8558659 0.73 ALDH1A1 (0.45) TSHRGPR55KMT2AALDH1A1CA12
SCHEMBL757988 0.73 ALDH1A1 (0.55) TSHRMAPK1NPSR1KDM4EGPR55
SCHEMBL11406873 0.72 CA12 (0.49) TSHRMAPK1KDM4ECYP1A2SMN1; SMN2
SCHEMBL6312091 0.72 ALDH1A1 (0.44) MAPK1NPSR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL11512411 0.72 ALDH1A1 (0.53) TSHRMAPK1NPSR1KDM4EGPR55
Formaldehyde SCHEMBL4557832 0.72 ALDH1A1 (0.53) TSHRMAPK1NPSR1KDM4EGPR55

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
EP-1663192-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS Poseidon Pharmaceuticals A/S (DK) 2006-06-07 EP disclosed
WO-2005023238-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF HYPEREXCITABILITY-RELATED NEURONAL DISEASES POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO disclosed
WO-2005023237-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO disclosed
US-4008211-A Betainic azo dyestuffs containing cobalt in complex union with a colorless, tridentate ligand CIBA-GEIGY AG (CH) 1977-02-15 US disclosed