SCHEMBL7143533

SCHEMBL7143533

CNCCCCCc1cc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34
HTR1B P28222 1/20 0.34
ILK Q13418 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL14303517 0.85
SCHEMBL16763155 0.84 KCNH2 (0.35) L3MBTL1KCNH2
SCHEMBL28354821 0.79 KCNH2 (0.52) ALDH1A1KDM4ELMNASLC6A4KCNH2
SCHEMBL29024299 0.79 KCNH2 (0.52) ALDH1A1KDM4ELMNASLC6A4KCNH2
SCHEMBL28351253 0.79 KCNH2 (0.52) ALDH1A1KDM4ELMNASLC6A4KCNH2
SCHEMBL4629594 0.79 KCNH2 (0.52) ALDH1A1KDM4ELMNASLC6A4KCNH2
SCHEMBL19520729 0.79 KCNH2 (0.52) ALDH1A1KDM4ELMNASLC6A4KCNH2
SCHEMBL7430191 0.79 KCNH2 (0.52) ALDH1A1KDM4ELMNASLC6A4KCNH2
Bromide SCHEMBL28351043 0.78 KCNH2 (0.50) ALDH1A1KDM4ELMNASLC6A4KCNH2
Bromide SCHEMBL28351331 0.78 KCNH2 (0.50) ALDH1A1KDM4ELMNASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286970-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS AND NOVEL INTERMEDIATES THEREOF AVENTIS CROPSCIENCE S.A. (FR) 2003-03-05 EP disclosed
WO-2001094316-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS AND NOVEL INTERMEDIATES THEREOF BAYER CROPSCIENCE S.A. (FR) 2001-12-13 WO disclosed