SCHEMBL4541108

SCHEMBL4541108

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
VCAM1 P19320 3/20 0.50
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1E P28566 1/20 0.41

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
SCHEMBL4537065 0.86 TSHR (0.44) TSHRRAB9ALMNASMN1; SMN2MEN1
SCHEMBL4541120 0.85 FKBP1A (0.55) RAB9ALMNAALDH1A1MEN1KMT2A
SCHEMBL4542597 0.85 MAPT (0.45) TSHRRAB9ASMN1; SMN2MEN1MAPT
SCHEMBL4535937 0.85 PSEN1 (0.58) RAB9AALDH1A1MAPTPSEN1PSEN2
SCHEMBL4541106 0.84 VCAM1 (0.48) NPBWR1MCHR1VCAM1TSHRLMNA
SCHEMBL4542251 0.84 NPBWR1 (0.54) NPBWR1MCHR1VCAM1LMNASMN1; SMN2
SCHEMBL4538143 0.83 RAB9A (0.50) RAB9AALDH1A1MEN1KMT2APSEN1
SCHEMBL4541044 0.83 CNR1 (0.45) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL4538792 0.81 PSEN1 (0.53) RAB9APOLBPSEN1PSEN2APH1B
SCHEMBL4542334 0.81 PSEN1 (0.53) RAB9APOLBPSEN1PSEN2APH1B

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-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed