SCHEMBL4715435

SCHEMBL4715435

Clc1ccc(C23CC4CC(CC(CCNc5ccccc5)(C4)C2)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SPHK2 Q9NRA0 4/20 0.46
ALDH1A1 P00352 1/20 0.43
RAD52 P43351 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
EPHX2 P34913 1/20 0.41
ICMT O60725 1/20 0.41
SPHK1 Q9NYA1 2/20 0.41
P2RX7 Q99572 1/20 0.38

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
SCHEMBL4719213 0.91 GRIN2D (0.50) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL22530506 0.89 LMNA (0.44) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4718353 0.79 DRD3 (0.46) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4718085 0.78 MEN1 (0.76) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL23323137 0.77 P2RX7 (0.53) MEN1KMT2AALDH1A1EPHX2ICMT
SCHEMBL1548582 0.76 MEN1 (0.57) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4718094 0.75 LMNA (0.46) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4716854 0.74 MEN1 (0.53) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4717867 0.74 OPRM1 (0.47) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4716280 0.74 MEN1 (0.52) 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 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