SCHEMBL5280126

SCHEMBL5280126

CCCC[Sn](CCCC)(CCCC)c1ncccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CASP3 P42574 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ELANE P08246 2/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL31319295 0.77 NOS3 (0.38) NPC1RAB9AL3MBTL1CYP1A2CYP2D6
SCHEMBL1278237 0.77 NOS3 (0.38) NPC1RAB9AL3MBTL1CYP1A2CYP2D6
SCHEMBL29479488 0.76 KDM4E (0.33) HPGDNPC1RAB9AL3MBTL1CYP1A2
SCHEMBL29382435 0.76 CYP2C9 (0.40) HPGDALDH1A1NPC1L3MBTL1CYP1A2
SCHEMBL28786384 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1671404 0.76 CYP2D6 (0.32) NPC1L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL29782963 0.76 CYP2D6 (0.32) NPC1L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL15913345 0.76 KDM4E (0.33) HPGDNPC1RAB9AL3MBTL1CYP1A2
SCHEMBL729066 0.76 CYP2C9 (0.40) HPGDALDH1A1NPC1L3MBTL1CYP1A2
SCHEMBL31200955 0.75 TSHR (0.40) HPGDALDH1A1SMN1; SMN2NPC1RAB9A

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-1858900-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006097691-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-09-21 WO disclosed