SCHEMBL4725295

SCHEMBL4725295

CCN1CCOC(c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 3/20 0.48
TP53 P04637 2/20 0.47
TRIM24 O15164 1/20 0.46
ALPL P05186 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL4729316 0.93 CYP19A1 (0.48) SMN1; SMN2LMNAMEN1ALOX12KMT2A
SCHEMBL4727053 0.91 LMNA (0.52) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL4779869 0.90 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMEN1ALOX12KMT2A
SCHEMBL4726021 0.90 LMNA (0.54) LMNAL3MBTL1NPSR1HTTTP53
SCHEMBL4728553 0.85 ALPL (0.44) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL4726489 0.82 LMNA (0.47) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL4726323 0.79 MAPT (0.42) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL4725656 0.79 KMT2A (0.45) SMN1; SMN2LMNAMEN1ALOX12KMT2A
SCHEMBL4727679 0.79 ALDH1A1 (0.48) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL4727604 0.78 MEN1 (0.47) LMNAMEN1KMT2AALDH1A1TP53

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
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO claimed
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO disclosed