SCHEMBL3884850

SCHEMBL3884850

CCc1ccnc(-c2ccccn2)c1CC.[Ru]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
NPC1 O15118 3/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ULK1 O75385 1/20 0.38
CDK7 P50613 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCE Q02156 1/20 0.38

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
SCHEMBL28320230 0.98 KDM4E (0.43) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL27532154 0.80 KDM4E (0.42) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL8962206 0.80 KDM4E (0.42) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL8565890 0.79 CCR1 (0.38) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL5089682 0.79 KDM4E (0.48) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL30551751 0.79 KDM4E (0.48) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL29883487 0.79 KDM4E (0.41) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL29177774 0.78 CYP2A6 (0.41) KDM4ELMNACYP1A2CCR1CCR5
Iodide SCHEMBL8962203 0.77 KDM4E (0.46) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL3641432 0.76 CYP1A2 (0.44) KDM4ELMNACYP1A2CCR1CCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1969651-B1 SENSITIZING COMPLEXES, THEIR METHOD OF PRODUCTION, HYBRID INORGANIC/ ORGANIC SEMICONDUCTOR MATERIAL COMPRISING THEM, AND PHOTOVOLTAIC CELL COMPRISING THIS MATERIAL COMMISSARIAT ENERGIE ATOMIQUE (FR) 2009-09-16 EP disclosed
EP-1969651-A1 SENSITIZING COMPLEXES, THEIR METHOD OF PRODUCTION, HYBRID INORGANIC/ ORGANIC SEMICONDUCTOR MATERIAL COMPRISING THEM, AND PHOTOVOLTAIC CELL COMPRISING THIS MATERIAL Commissariat à l'Energie Atomique (FR) 2008-09-17 EP disclosed
WO-2007071792-A1 SENSITIZING COMPLEXES, THEIR METHOD OF PRODUCTION, HYBRID INORGANIC/ ORGANIC SEMICONDUCTOR MATERIAL COMPRISING THEM, AND PHOTOVOLTAIC CELL COMPRISING THIS MATERIAL COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-06-28 WO disclosed