SCHEMBL4716332

SCHEMBL4716332

Clc1ccc(C23CC4CC(CC(CCNCCc5ccc(Br)cc5)(C4)C2)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
RAD52 P43351 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SPHK2 Q9NRA0 4/20 0.46
SPHK1 Q9NYA1 2/20 0.46
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.36
EPHX2 P34913 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
SCHEMBL4717023 0.80 EPHX2 (0.50) MEN1KMT2ARAD52ALDH1A1EPHX2
SCHEMBL1548369 0.77 SPHK2 (0.74) MEN1KMT2ALMNARAD52HTT
SCHEMBL4718400 0.77 MEN1 (0.51) MEN1KMT2ALMNARAD52HTT
SCHEMBL4717890 0.77 MEN1 (0.50) MEN1KMT2ALMNARAD52HTT
SCHEMBL1548625 0.77 SPHK2 (0.45) MEN1KMT2ALMNARAD52HTT
SCHEMBL2734558 0.75 LMNA (0.48) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL4715435 0.74 LMNA (0.57) MEN1KMT2ALMNARAD52HTT
SCHEMBL4718085 0.73 MEN1 (0.76) MEN1KMT2ALMNARAD52HTT
SCHEMBL4716854 0.70 MEN1 (0.53) MEN1KMT2ALMNARAD52HTT
SCHEMBL4718166 0.70 LMNA (0.66) MEN1KMT2ALMNARAD52HTT

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
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