SCHEMBL437369

SCHEMBL437369

Nc1cc(-c2ccccc2)nc2ccc(Br)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.67
RXFP1 Q9HBX9 2/20 0.62
SLC2A1 P11166 1/20 0.55
ADORA2A P29274 3/20 0.49
ADORA1 P30542 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2B P29275 1/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AGTR1 P30556 1/20 0.47
EPRS1 P07814 1/20 0.47
ADRB2 P07550 1/20 0.47
PRNP P04156 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL438920 0.89 ACHE (0.70) ACHERXFP1SLC2A1ADORA2AADORA1
SCHEMBL15919363 0.83 ACHE (0.77) ACHERXFP1SLC2A1ALDH1A1MAPT
SCHEMBL30064742 0.83 RXFP1 (0.61) ACHERXFP1ALDH1A1MAPTKMT2A
SCHEMBL13774334 0.83 RXFP1 (0.61) ACHERXFP1ALDH1A1MAPTKMT2A
SCHEMBL4824379 0.83 ACHE (0.71) ACHERXFP1ADORA2AADORA1ALDH1A1
SCHEMBL4824929 0.82 EPRS1 (0.68) ACHERXFP1SLC2A1ALDH1A1MAPT
SCHEMBL4825564 0.81 ACHE (0.51) ACHERXFP1SLC2A1ADORA2AADORA1
SCHEMBL9610043 0.81 RXFP1 (0.60) RXFP1ALDH1A1MAPTKMT2AGAA
SCHEMBL2873300 0.80 ACHE (1.00) ACHESLC2A1ADORA2AADORA1ALDH1A1
SCHEMBL3497221 0.80 RXFP1 (0.62) ACHERXFP1ALDH1A1MAPTKMT2A

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