SCHEMBL435828

SCHEMBL435828

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
BCHE P06276 2/20 0.39
DYRK1A Q13627 2/20 0.35
NQO2 P16083 1/20 0.35
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
UHRF1 Q96T88 1/20 0.34
EGFR P00533 1/20 0.34
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP4 Q9UKK3 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
RAD52 P43351 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL436945 0.86 KDM4E (0.45) DYRK1AKMT2AHTTUHRF1PARP1
SCHEMBL441685 0.83 ACHE (0.35) ACHEGRIN1GRIN2ABCHEDYRK1A
SCHEMBL439801 0.83 ACHE (0.37) ACHEGRIN1GRIN2ABCHEDYRK1A
SCHEMBL436591 0.78 GABRP (0.47) KMT2APARP4KDM4EHPGD
SCHEMBL438361 0.76 ALDH1A1 (0.36) ACHEGRIN1GRIN2ABCHEDYRK1A
SCHEMBL436601 0.76 KMT2A (0.33) ACHEGRIN1GRIN2ABCHEDYRK1A
SCHEMBL441701 0.75 ALDH1A1 (0.43) KMT2AHTTPARP1KDM4EALDH1A1
SCHEMBL22715874 0.73 PDE5A (0.44) DYRK1ANQO2HTTPARP1PARP2
SCHEMBL437001 0.73 NPC1 (0.55) KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL442160 0.71 NR4A2 (0.40) NQO2KMT2AUHRF1PARP1PARP2

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