SCHEMBL4779869

SCHEMBL4779869

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
TRIM24 O15164 1/20 0.47
ALPL P05186 7/20 0.46
GLA P06280 1/20 0.46
PKM P14618 1/20 0.44
BRD4 O60885 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
GHSR Q92847 1/20 0.42
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42

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
SCHEMBL4727053 0.90 LMNA (0.52) SMN1; SMN2MAPTLMNAALPLMEN1
SCHEMBL4725295 0.90 SMN1; SMN2 (0.55) SMN1; SMN2LMNATRIM24ALPLALOX12
SCHEMBL4726021 0.89 LMNA (0.54) LMNATRIM24ALPL
SCHEMBL4725665 0.86 GHSR (0.44) MAPTLMNAPKMBRD4MEN1
SCHEMBL4729316 0.84 CYP19A1 (0.48) SMN1; SMN2LMNATRIM24ALPLALOX12
SCHEMBL4728553 0.84 ALPL (0.44) SMN1; SMN2LMNAALPLPKMMEN1
SCHEMBL4726489 0.81 LMNA (0.47) MAPTLMNAPKMMEN1ALDH1A1
SCHEMBL4727167 0.81 DRD3 (0.45) MAPTLMNABRD4
SCHEMBL4726323 0.78 MAPT (0.42) SMN1; SMN2MAPTLMNAALPLMEN1
SCHEMBL4725656 0.78 KMT2A (0.45) SMN1; SMN2MAPTLMNAPKMBRD4

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