SCHEMBL4725656

SCHEMBL4725656

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
DRD3 P35462 1/20 0.44
LMNA P02545 5/20 0.43
MAPT P10636 3/20 0.43
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
ALDH1A1 P00352 4/20 0.41
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL4727679 0.92 ALDH1A1 (0.48) KMT2ADRD3LMNAMAPTALDH1A1
SCHEMBL4726285 0.90 PKM (0.48) KMT2ADRD3LMNAMAPTBRD4
SCHEMBL4725665 0.90 GHSR (0.44) KMT2ADRD3LMNAMAPTBRD4
SCHEMBL4728553 0.88 ALPL (0.44) KMT2ADRD3LMNAALDH1A1PKM
SCHEMBL4727604 0.88 MEN1 (0.47) KMT2ADRD3LMNAMAPTBRD4
SCHEMBL4725451 0.88 MAPT (0.53) KMT2ADRD3LMNAMAPTALDH1A1
SCHEMBL4726323 0.88 MAPT (0.42) KMT2ADRD3LMNAMAPTALDH1A1
SCHEMBL4727053 0.86 LMNA (0.52) KMT2ALMNAMAPTALDH1A1HTT
SCHEMBL4725768 0.85 MAPT (0.51) KMT2ADRD3LMNAMAPTBRD4
SCHEMBL4729520 0.84 MOGAT2 (0.44) DRD3LMNABRD4PKMHTT

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