SCHEMBL4753960

SCHEMBL4753960

CC(C)NS(=O)(=O)c1cc2c(c(OCCCCl)c1)OC(C)(C)C2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
NPC1 O15118 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
HTR1A P08908 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL4752450 0.88 LMNA (0.36) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL4750506 0.83 AKT1 (0.36) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL4754001 0.80 PKM (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4752959 0.75 HTR2A (0.47) ALDH1A1NPC1FFAR4HTR1ALMNA
SCHEMBL4750508 0.74 FFAR4 (0.36) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL4751070 0.72 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL4789318 0.70 AKT1 (0.34)
SCHEMBL7963661 0.68 NPC1 (0.55) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL4751068 0.68 ALDH1A1 (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4750498 0.65 FFAR4 (0.36) MAPTALDH1A1MEN1KMT2ANPC1

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-1948660-A1 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-30 EP claimed
WO-2007054741-A1 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-05-18 WO claimed
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed