SCHEMBL439635

SCHEMBL439635

COc1ccc2ncc(Br)c(N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
CHRM1 P11229 1/20 0.47
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MAP4K4 O95819 1/20 0.43
LMNA P02545 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
NCF1 P14598 1/20 0.42
MAPT P10636 3/20 0.42
GRM1 Q13255 1/20 0.42
EGFR P00533 2/20 0.42
GABRA1 P14867 1/20 0.42

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
SCHEMBL437945 0.87 ACHE (0.47) APPACHEHTR1AADRA1DADRA1A
SCHEMBL439021 0.84 KMT2A (0.55) KDM4EMAP4K4LMNAMAPTMAPK1
SCHEMBL31384368 0.81 LMNA (0.43) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL440060 0.81 BCHE (0.50) APPBCHEACHECHRM1GRIN1
SCHEMBL2949117 0.81 KDM4E (0.46) APPBCHEACHECHRM1KDM4E
SCHEMBL13652181 0.81 KDM4E (0.49) APPBCHEACHECHRM1GRIN1
SCHEMBL29393432 0.81 KDM4E (0.46) APPBCHEACHECHRM1KDM4E
SCHEMBL6080573 0.81 LMNA (0.47) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL440348 0.80 NPC1 (0.44) APPACHEKDM4ELMNAABCC8
SCHEMBL442244 0.78 ACHE (0.43) BCHEACHEGRIN1GRIN2AKDM4E

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