SCHEMBL4715845

SCHEMBL4715845

NC(=O)CC12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
SPHK2 Q9NRA0 3/20 0.60
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.49
RAD52 P43351 1/20 0.49
SPHK1 Q9NYA1 1/20 0.47
P2RX7 Q99572 1/20 0.47

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
SCHEMBL19150630 0.86 GRIN2D (0.55) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4718085 0.79 MEN1 (0.76) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4718166 0.78 LMNA (0.66) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2734797 0.76 MEN1 (0.52) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL132328 0.76 SPHK2 (0.59) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL133608 0.74 SPHK2 (0.58) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2948683 0.74 POLB (0.54) LMNAMEN1KMT2AHTTSPHK2
SCHEMBL1548365 0.73 SPHK2 (0.57) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1548965 0.72 MEN1 (0.61) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1548582 0.72 MEN1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060771-A2 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD. (IL) 2017-04-13 WO disclosed
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