SCHEMBL4540835

SCHEMBL4540835

O=C(NCC1CN(S(=O)(=O)c2cccc(Cl)c2)C1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
FBP1 P09467 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 5/20 0.42
CHRM1 P11229 1/20 0.42
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
CXCR3 P49682 1/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 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
SCHEMBL4535854 0.93 KMT2A (0.47) MEN1KMT2AALDH1A1FBP1SMN1; SMN2
SCHEMBL4539370 0.91 KMT2A (0.48) MEN1KMT2AALDH1A1FBP1SMN1; SMN2
SCHEMBL4542446 0.91 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1FBP1SMN1; SMN2
SCHEMBL4542881 0.85 KMT2A (0.46) MEN1KMT2AALDH1A1FBP1LMNA
SCHEMBL4537991 0.81 HDAC3 (0.45) KMT2AALDH1A1EPHX2
SCHEMBL4530586 0.81 EPHX2 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4535237 0.81 RAB9A (0.53)
SCHEMBL4543003 0.81 CNR1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4540834 0.80 HSD11B1 (0.47) MEN1KMT2AALDH1A1FBP1HSD11B1
SCHEMBL4538143 0.80 RAB9A (0.50) MEN1KMT2AALDH1A1HSD11B1

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