SCHEMBL4537039

SCHEMBL4537039

O=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
USP5 P45974 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
KCNH2 Q12809 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
TRPV4 Q9HBA0 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL4537385 0.95 KMT2A (0.43) EPHX2KMT2AMEN1USP5KDM4E
SCHEMBL4537314 0.91 POLB (0.44) EPHX2KMT2AMEN1HTTTRPV4
SCHEMBL4542825 0.87 HDAC3 (0.53) EPHX2KMT2AUSP5LMNAALDH1A1
SCHEMBL4541778 0.86 LMNA (0.58) KMT2AMEN1USP5LMNASMN1; SMN2
SCHEMBL4530295 0.85 POLB (0.44)
SCHEMBL4542446 0.84 SMN1; SMN2 (0.53) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL4537228 0.84 POLB (0.41) KMT2A
SCHEMBL4539756 0.82 HDAC3 (0.50) EPHX2KMT2AALDH1A1
SCHEMBL4535939 0.81 USP30 (0.48) EPHX2KMT2AMEN1SMN1; SMN2TRPV4
SCHEMBL8060983 0.80 P2RX7 (0.47) EPHX2KMT2AMEN1KDM4ETRPV4

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