SCHEMBL4538146

SCHEMBL4538146

O=C(CC1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
EPHX2 P34913 1/20 0.46
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CACNA1B Q00975 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RHOA P61586 1/20 0.42
EPHX1 P07099 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
SCHEMBL4537706 0.95 EPHX2 (0.48) CNR1KMT2AMEN1EPHX2LMNA
SCHEMBL8058688 0.92 KMT2A (0.45) CNR1KMT2AMEN1LMNAL3MBTL1
SCHEMBL4541867 0.90 CNR1 (0.51) CNR1KMT2AMEN1EPHX2LMNA
SCHEMBL4539395 0.89 LMNA (0.47) KMT2AMEN1EPHX2LMNAPOLB
SCHEMBL4537048 0.87 LMNA (0.47) KMT2AMEN1EPHX2LMNAUSP2
SCHEMBL4539317 0.87 HSD11B1 (0.49) KMT2AMEN1LMNAUSP2POLB
SCHEMBL4537427 0.87 SMN1; SMN2 (0.52) KMT2AEPHX2LMNASMN1; SMN2EPHX1
SCHEMBL8061471 0.86 KMT2A (0.43) CNR1KMT2AMEN1EPHX2LMNA
SCHEMBL4536790 0.85 BDKRB1 (0.53) CNR1KMT2AEPHX2POLBSMN1; SMN2
SCHEMBL4539985 0.84 TSHR (0.50) KMT2AMEN1LMNAL3MBTL1USP2

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