SCHEMBL6023318

SCHEMBL6023318

CCCCCCCCCCCCOc1ccc(CCCc2ccc(Cl)c(Cl)c2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
GLA P06280 1/20 0.46
HTT P42858 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
APAF1 O14727 2/20 0.43
THRB P10828 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC2A1 P11166 1/20 0.43
RAD52 P43351 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1854400 0.86 SLC2A1 (0.57) SMN1; SMN2GLAKMT2ASLC2A1SIGMAR1
SCHEMBL1857345 0.81 LTB4R (0.43) SMN1; SMN2HTTMEN1KMT2ATHRB
SCHEMBL6023317 0.81 SMN1; SMN2 (0.44) SMN1; SMN2GLAHTTMEN1KMT2A
SCHEMBL25776518 0.79 SLC2A1 (0.58) SMN1; SMN2HTTMEN1KMT2ANPC1
SCHEMBL1854432 0.79 LTB4R (0.42) SMN1; SMN2HTTMEN1KMT2ATHRB
SCHEMBL28769919 0.77 SLC2A1 (0.57) HTTMEN1KMT2ATHRBL3MBTL1
SCHEMBL9398842 0.75 SMN1; SMN2 (0.70) SMN1; SMN2GLAHTTMEN1KMT2A
SCHEMBL23271675 0.75 CNR1 (0.61) HTTMEN1KMT2AMAPTTHRB
SCHEMBL29802558 0.75 CNR1 (0.61) HTTMEN1KMT2AMAPTTHRB
SCHEMBL30630917 0.75 CNR1 (0.61) HTTMEN1KMT2AMAPTTHRB

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-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed