SCHEMBL4752450

SCHEMBL4752450

CNS(=O)(=O)c1cc2c(c(OCCCCl)c1)OC(C)(C)C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HBB P68871 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL4753960 0.88 MAPT (0.37) LMNANPC1KDM4EFFAR4MCOLN3
SCHEMBL4750506 0.86 AKT1 (0.36) LMNANPC1KDM4EFFAR4MCOLN3
SCHEMBL4754001 0.82 PKM (0.41) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL4752959 0.77 HTR2A (0.47) LMNANPC1FFAR4ALDH1A1
SCHEMBL4750508 0.76 FFAR4 (0.36) LMNANPC1FFAR4ALDH1A1KMT2A
SCHEMBL4788883 0.75 TSHR (0.39) LMNAALDH1A1GAATSHR
SCHEMBL4751070 0.75 ALDH1A1 (0.41) LMNANPC1FFAR4ALDH1A1KMT2A
SCHEMBL4789318 0.73 AKT1 (0.34) TSHR
SCHEMBL7963661 0.71 NPC1 (0.55) LMNANPC1ALDH1A1KMT2AMEN1
SCHEMBL4751068 0.70 ALDH1A1 (0.41) LMNANPC1KDM4EFFAR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed