SCHEMBL9030858

SCHEMBL9030858

COc1ccc(-c2ccc(CN3CCCC3)s2)cc1N(C)c1occ2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR Q13258 1/20 0.36
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
KMT2A Q03164 2/20 0.34
ADRA1B P35368 2/20 0.34
MEN1 O00255 1/20 0.34
ACP1 P24666 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL9025502 0.86 PDE7A (0.37) KDM4EL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL9025304 0.85 KDM4E (0.37) KDM4EL3MBTL1PTGDRMAPK1ALDH1A1
SCHEMBL9220066 0.83 MEN1 (0.42) KMT2AMEN1
SCHEMBL9025554 0.81 MAPK14 (0.39) KDM4EL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL9030860 0.78 KDM4E (0.39) KDM4EL3MBTL1PTGDRMAPK1ALDH1A1
SCHEMBL9026284 0.78 SIGMAR1 (0.47) LMNA
SCHEMBL9026126 0.75 HRH3 (0.48) KDM4EL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL9025816 0.73 KDM4E (0.35) KDM4EL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL9032013 0.72 MAPT (0.37) KDM4EALDH1A1LMNAMAPT
SCHEMBL9025513 0.71 ALDH1A1 (0.50) KDM4EALDH1A1LMNAMAPTKMT2A

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-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed