SCHEMBL4761609

SCHEMBL4761609

FCOc1ccc(CNCC23CC4CC(C2)CC(c2ccc(Cl)cc2)(C4)C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SPHK2 Q9NRA0 4/20 0.48
SPHK1 Q9NYA1 2/20 0.42
ALDH1A1 P00352 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ESR1 P03372 1/20 0.38
RAD52 P43351 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL1549039 0.87 LMNA (0.49) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1548187 0.83 LMNA (0.52) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1548830 0.81 SPHK2 (0.69) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1548196 0.78 LMNA (0.48) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2734558 0.76 LMNA (0.48) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4995901 0.75 SPHK2 (0.46) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4718400 0.72 MEN1 (0.51) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4995897 0.71 SPHK2 (0.42) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4717890 0.71 MEN1 (0.50) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4718166 0.71 LMNA (0.66) LMNAMEN1KMT2AHTTSMN1; SMN2

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
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP disclosed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO disclosed