SCHEMBL5501901

SCHEMBL5501901

CC1C[C@H](Nc2ccc(Br)cc2)c2cc(Br)ccc2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PLA2G1B P04054 1/20 0.33
GAPDH P04406 1/20 0.33
HSPA1A P0DMV8 1/20 0.33
MIF P14174 1/20 0.33
PTPN7 P35236 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NQO2 P16083 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33

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
SCHEMBL4134739 1.00 BRD4 (0.36) BRD4HTR2AHTR2CHTR2BPOLB
SCHEMBL4134737 1.00 BRD4 (0.36) BRD4HTR2AHTR2CHTR2BPOLB
SCHEMBL6514956 0.81 CHRNB2 (0.38) BRD4MAPT
SCHEMBL4196389 0.81 CHRNB2 (0.38) BRD4MAPT
SCHEMBL6514954 0.81 CHRNB2 (0.38) BRD4MAPT
SCHEMBL4196397 0.81 CHRNB2 (0.38) BRD4MAPT
SCHEMBL4196392 0.81 CHRNB2 (0.38) BRD4MAPT
SCHEMBL11978795 0.80 POLB (0.34) BRD4HTR2AHTR2CHTR2BPOLB
SCHEMBL1822911 0.80 POLB (0.34) BRD4HTR2AHTR2CHTR2BPOLB
SCHEMBL1866848 0.80 POLB (0.34) BRD4HTR2AHTR2CHTR2BPOLB

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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed