SCHEMBL6691091

SCHEMBL6691091

N#Cc1c(NCc2cccs2)c2ccccc2[n+](N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 7/20 0.38
CYP1A2 P05177 7/20 0.38
CYP3A4 P08684 7/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
CLK4 Q9HAZ1 6/20 0.38
CYP2D6 P10635 6/20 0.38
HSD17B10 Q99714 4/20 0.38
USP2 O75604 4/20 0.38
MAPK1 P28482 3/20 0.38
CYP2C19 P33261 6/20 0.37
TSHR P16473 5/20 0.37
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 3/20 0.37
CYP2C9 P11712 3/20 0.37
HIF1A Q16665 2/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL3529460 0.75 KMT2A (0.50) KDM4ELMNACYP1A2CYP3A4MEN1
SCHEMBL940613 0.65 CYP1A2 (0.41) KDM4ELMNACYP1A2CYP3A4MEN1
SCHEMBL7519734 0.63 KDM4E (0.61) KDM4ELMNACYP1A2CYP3A4MEN1
SCHEMBL2073159 0.62 KDM4E (1.00) KDM4ELMNACYP1A2CYP3A4MEN1
SCHEMBL6798736 0.61 L3MBTL1 (0.63) KDM4ELMNACYP1A2CYP3A4MEN1
SCHEMBL5945041 0.61 L3MBTL1 (0.40) KDM4ELMNACYP1A2CYP3A4MEN1
SCHEMBL10429061 0.60 KDM4E (0.50) KDM4ELMNATSHRSMN1; SMN2HPGD
SCHEMBL5944680 0.59 L3MBTL1 (0.44) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL5944966 0.59 L3MBTL1 (0.44) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL2716691 0.59 L3MBTL1 (0.70) KDM4ELMNACYP1A2CYP3A4MEN1

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-1456204-A1 TRIAZOLO-QUINOLIN DERIVATIVES USEFUL AS ADENOSINE RECEPTOR LIGANDS Sanofi-Aventis (FR) 2004-09-15 EP disclosed
WO-2003053968-A1 TRIAZOLO-QUINOLIN DERIVATIVES USEFUL AS ADENOSINE RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2003-07-03 WO disclosed