SCHEMBL441685

SCHEMBL441685

Cc1cc(Cl)cc2c(N)c(Br)cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.35
GRIN1 Q05586 6/20 0.35
GRIN2A Q12879 6/20 0.35
BCHE P06276 5/20 0.35
MAP3K14 Q99558 1/20 0.33
UHRF1 Q96T88 1/20 0.32
SLC2A1 P11166 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
PDE10A Q9Y233 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
POLB P06746 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAD52 P43351 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL435828 0.83 ACHE (0.39) ACHEGRIN1GRIN2ABCHEUHRF1
SCHEMBL439580 0.83 BCHE (0.40) ACHEGRIN1GRIN2ABCHEMAP3K14
SCHEMBL436945 0.83 KDM4E (0.45) UHRF1POLBKDM4EALDH1A1RAD52
SCHEMBL438876 0.83 BCHE (0.43) ACHEGRIN1GRIN2ABCHETP53
SCHEMBL436963 0.80 PDE5A (0.38) POLBKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL436601 0.77 KMT2A (0.33) ACHEGRIN1GRIN2ABCHEPOLB
SCHEMBL436954 0.75 HAVCR2 (0.54) SLC2A1TP53CYP3A4POLBKDM4E
SCHEMBL438361 0.74 ALDH1A1 (0.36) ACHEGRIN1GRIN2ABCHEUHRF1
SCHEMBL439801 0.73 ACHE (0.37) ACHEGRIN1GRIN2ABCHEUHRF1
SCHEMBL441701 0.72 ALDH1A1 (0.43) POLBKDM4EALDH1A1RAD52KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed