SCHEMBL6611599

SCHEMBL6611599

C(#Cc1cnco1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.50
APP P05067 1/20 0.48
MAPT P10636 2/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
Diphenylacetylene SCHEMBL960609 0.69 APP (1.00) GRM5APPMAPTKDM4EALDH1A1
Diphenylacetylene SCHEMBL29188592 0.69 APP (1.00) GRM5APPMAPTKDM4EALDH1A1
Diphenylacetylene SCHEMBL68254 0.69 APP (1.00) GRM5APPMAPTKDM4EALDH1A1
SCHEMBL4170184 0.68 APP (0.55) GRM5APPMAPTKDM4EALDH1A1
SCHEMBL4860070 0.67 GRM5 (1.00) GRM5APPMAPT
Diphenylacetylene SCHEMBL23754282 0.67 APP (0.92) GRM5APPMAPTKDM4EALDH1A1
Diphenylacetylene SCHEMBL31243352 0.67 APP (0.92) GRM5APPMAPTKDM4EALDH1A1
Diphenylacetylene SCHEMBL9273707 0.67 APP (0.92) GRM5APPMAPTKDM4EALDH1A1
Diphenylacetylene SCHEMBL31286315 0.67 APP (0.92) GRM5APPMAPTKDM4EALDH1A1
Diphenylacetylene SCHEMBL28768551 0.67 APP (0.92) GRM5APPMAPTKDM4EALDH1A1

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-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO disclosed