SCHEMBL14611898

SCHEMBL14611898

CN1c2ccc(Br)cc2C2C=CCC2C1c1cc2c(cc1Br)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 4/20 0.51
GPER1 Q99527 3/20 0.51
POLB P06746 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GPR183 P32249 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PLA2G1B P04054 1/20 0.38
GAPDH P04406 1/20 0.38
HSPA1A P0DMV8 1/20 0.38
MIF P14174 1/20 0.38
PTPN7 P35236 1/20 0.38

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
SCHEMBL14611897 0.90 MAPT (0.47) MAPTMEN1KMT2ALMNAHTT
SCHEMBL916386 0.86 L3MBTL1 (0.65) MAPTMEN1KMT2ALMNAHTT
SCHEMBL18130926 0.86 L3MBTL1 (0.65) MAPTMEN1KMT2ALMNAHTT
SCHEMBL14611899 0.85 MAPT (0.43) MAPTMEN1KMT2ALMNAHTT
SCHEMBL12700960 0.75 L3MBTL1 (0.64) MAPTMEN1KMT2ALMNAHTT
SCHEMBL12701119 0.73 MAPT (0.81) MAPTMEN1KMT2ALMNAHTT
SCHEMBL21105517 0.70 L3MBTL1 (0.57) MAPTMEN1KMT2ALMNAHTT
SCHEMBL20506686 0.70 L3MBTL1 (0.57) MAPTMEN1KMT2ALMNAHTT
SCHEMBL24203417 0.68 MAPT (1.00) MAPTMEN1KMT2ALMNAHTT
SCHEMBL916391 0.68 MAPT (1.00) MAPTMEN1KMT2ALMNAHTT

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-2007019180-A2 COMPOUNDS FOR BINDING TO ERALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-02-15 WO disclosed