SCHEMBL4753484

SCHEMBL4753484

CCCC[Sn](CCCC)(CCCC)c1cccnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA1 P30542 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL12502917 0.81 P2RX7 (0.34) KDM4ELMNACYP2D6CYP19A1CYP2C9
SCHEMBL5935645 0.79 NAPRT (0.37) CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2
SCHEMBL2083596 0.79 TRIM24 (0.32) SMN1; SMN2L3MBTL1TDP1GAAHTT
SCHEMBL14120504 0.77 APLNR (0.37) KDM4ECYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29479488 0.76 KDM4E (0.33) KDM4ELMNACYP2D6CYP19A1CYP2C9
SCHEMBL15913345 0.76 KDM4E (0.33) KDM4ELMNACYP2D6CYP19A1CYP2C9
SCHEMBL21552099 0.76 LMNA (0.36) KDM4ELMNASMN1; SMN2HTT
SCHEMBL691136 0.76 KDM4E (0.41) KDM4ELMNASMN1; SMN2L3MBTL1NPC1
SCHEMBL7652331 0.74 GSR (0.32) KDM4EL3MBTL1NPSR1
SCHEMBL7642619 0.74 GSR (0.32) KDM4EL3MBTL1NPSR1

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed