SCHEMBL4717030

SCHEMBL4717030

CN1CCC(NCCC23CC4CC(C2)CC(c2ccc(F)cc2)(C4)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
RAD52 P43351 1/20 0.39
USP2 O75604 1/20 0.39
OPRL1 P41146 1/20 0.39
HSD11B1 P28845 1/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 2/20 0.36

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
SCHEMBL4716280 0.89 MEN1 (0.52) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL1548782 0.78 MEN1 (0.54) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4715446 0.75 HTT (0.41) MEN1KMT2AHTTEPHX2
SCHEMBL1548773 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL22530506 0.75 LMNA (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4716854 0.72 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4717867 0.72 OPRM1 (0.47) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL29387029 0.71 HSD11B1 (0.39) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4717042 0.67 LMNA (0.49) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL4719213 0.66 GRIN2D (0.50) MEN1KMT2ALMNAALDH1A1SMN1; 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 5 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 claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO claimed
EP-3407912-B1 METHODS FOR ENHANCING THE POTENCY OF THE IMMUNE CHECKPOINT INHIBITORS INST NAT SANTE RECH MED (FR) 2022-05-18 EP 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