SCHEMBL4744073

SCHEMBL4744073

COc1ccc(CI)cc1.Clc1ccc2c(I)ccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
APP P05067 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.44
BMP4 P12644 1/20 0.43
NR4A2 P43354 1/20 0.41
SOS2 Q07890 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAK O14976 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL365024 0.79 NR4A2 (0.61) GAANR4A2SOS2PRNPKMT2A
SCHEMBL29923701 0.79 NR4A2 (0.61) GAANR4A2SOS2PRNPKMT2A
SCHEMBL3842625 0.78 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BGAK
SCHEMBL7461823 0.73 APP (0.58) GAAAPPSMN1; SMN2
SCHEMBL7501744 0.73 CYP1A2 (0.65) HTTHTR1AADRA1DADRA1AADRA1B
SCHEMBL13496183 0.72 PKM (0.66) HTTAPPHTR1AADRA1DADRA1A
SCHEMBL21121632 0.70 MAPT (0.69) HTTGAAAPPNR4A2HTR1A
SCHEMBL1702115 0.70 LMNA (0.61) GAANR4A2SOS2PRNPPOLB
SCHEMBL8499187 0.69 OPRM1 (0.53) HTTGAAAPPHTR1AADRA1D
SCHEMBL1690991 0.69 IDO1 (0.58) APPSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080201095-A1 Method for Calibrating an Analytical Instrument VERMILLION, INC. 2008-08-21 US disclosed
WO-2008100941-A2 A METHOD FOR CALIBRATING AN ANALYTICAL INSTRUMENT CORRELOGIC SYSTEMS INC. (US) 2008-08-21 WO disclosed