SCHEMBL5095149

SCHEMBL5095149

Brc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CCOP(=O)(OCC)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.F[B-](F)(F)F.F[B-](F)(F)F.[Ru+2]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 4/20 0.35
RXFP1 Q9HBX9 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
ALPL P05186 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL23037082 0.88 CCR1 (0.46) CCR1CCR5CCR8MEN1KMT2A
Hydrochloric Acid SCHEMBL5098652 0.87 CCR1 (0.45) CCR1CCR5CCR8MEN1KMT2A
SCHEMBL8569208 0.72 CCNT1 (0.35) CCR1CCR5CCR8MEN1KMT2A
SCHEMBL30046929 0.72 CCR1 (0.64) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL2138914 0.72 CCR1 (0.64) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL26287430 0.71 CYP1A2 (0.51) CCR1CCR5CCR8MEN1KMT2A
SCHEMBL2137318 0.68 CCR1 (0.55) CCR1CCR5CCR8MEN1KMT2A
SCHEMBL31722547 0.68 CCNT1 (0.39) CCR1CCR5CCR8MEN1KMT2A
SCHEMBL9327184 0.67 S1PR1 (0.40) CCR1CCR5CCR8MEN1KMT2A
SCHEMBL4581614 0.67 CCR1 (0.56) CCR1CCR5CCR8NPSR1ALDH1A1

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
US-9196847-B2 Sensitizing complexes, process for the preparation thereof, semiconductive inorganic/organic hybrid material comprising them, and photovoltaic cell comprising said material COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2015-11-24 US disclosed
US-20080276985-A1 Sensitizing Complexes, Process For The Preparation Thereof, Semiconductive Inorganic/Organic Hybrid Material Comprising Them, And Photovoltaic Cell Comprising Said Material COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-11-13 US disclosed