SCHEMBL4716280

SCHEMBL4716280

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
MITF O75030 1/20 0.45
SPHK2 Q9NRA0 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.40
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
SPHK1 Q9NYA1 1/20 0.38
CXCR3 P49682 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL4717030 0.89 MEN1 (0.43) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL1548782 0.89 MEN1 (0.54) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4716854 0.83 MEN1 (0.53) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL1548742 0.76 MEN1 (0.55) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4716001 0.76 LMNA (0.52) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4715446 0.75 HTT (0.41) MEN1KMT2AHTTMITF
SCHEMBL1548106 0.75 MEN1 (0.42) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL1548632 0.74 SPHK2 (0.53) MEN1KMT2ALMNASMN1; SMN2SPHK2
SCHEMBL4715435 0.74 LMNA (0.57) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4718085 0.73 MEN1 (0.76) MEN1KMT2ALMNASMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3952850-A1 USE OF SK2 INHIBITORS IN COMBINATION WITH IMMUNE CHECKPOINT BLOCKADE THERAPY FOR THE TREATMENT OF CANCER Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2022-02-16 EP disclosed
WO-2020208060-A1 USE OF SK2 INHIBITORS IN COMBINATION WITH IMMUNE CHECKPOINT BLOCKADE THERAPY FOR THE TREATMENT OF CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-10-15 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