SCHEMBL4550353

SCHEMBL4550353

NCc1ccc(CI)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.41
MAOB P27338 4/20 0.40
LOX P28300 1/20 0.40
IDO1 P14902 4/20 0.39
NSD2 O96028 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
NR1H2 P55055 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 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
SCHEMBL23865166 0.79 LOXL2 (0.39) LOXL2MAOBLOXIDO1NSD2
SCHEMBL8690013 0.78 LOXL2 (0.47) LOXL2MAOBLOXIDO1NSD2
SCHEMBL23865129 0.76 TAAR1 (0.53) MAOBIDO1TAAR1
SCHEMBL15047124 0.76 HRH3 (0.40) LOXL2LOXTAAR1HRH3
SCHEMBL15692019 0.75 LOXL2 (0.44) LOXL2MAOBLOXIDO1NSD2
SCHEMBL17864251 0.75 DAO (0.46) IDO1RXRARXRBRXRG
SCHEMBL17864241 0.75 IDO1 (0.59) IDO1
SCHEMBL41769 0.75 PTPN7 (0.45) LOXL2MAOBLOXIDO1TAAR1
SCHEMBL15833862 0.74 IDO1 (0.35) MAOBIDO1RXRARXRBRXRG
SCHEMBL17503913 0.74 KLKB1 (0.37) LOXL2MAOBLOXIDO1KLKB1

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
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed