SCHEMBL14611899

SCHEMBL14611899

CN1c2ccc(CCN)cc2C2C=CCC2C1c1cc2c(cc1Br)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
GPER1 Q99527 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR183 P32249 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 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
SCHEMBL14611898 0.85 MAPT (0.51) MAPTGPER1MEN1KMT2ALMNA
SCHEMBL14611897 0.84 MAPT (0.47) MAPTGPER1MEN1KMT2ALMNA
SCHEMBL916386 0.80 L3MBTL1 (0.65) MAPTGPER1MEN1KMT2ALMNA
SCHEMBL18130926 0.80 L3MBTL1 (0.65) MAPTGPER1MEN1KMT2ALMNA
SCHEMBL916446 0.77 MAPT (0.70) MAPTGPER1MEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL5331270 0.70 GPER1 (0.63) MAPTGPER1MEN1KMT2ALMNA
SCHEMBL12700960 0.70 L3MBTL1 (0.64) MAPTGPER1MEN1KMT2ALMNA
SCHEMBL12700925 0.69 MAPT (0.71) MAPTGPER1MEN1KMT2ALMNA
SCHEMBL20506686 0.69 L3MBTL1 (0.57) MAPTGPER1MEN1KMT2ALMNA
SCHEMBL21105517 0.69 L3MBTL1 (0.57) MAPTGPER1MEN1KMT2ALMNA

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