SCHEMBL28044719

SCHEMBL28044719

COCCOc1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
DRD2 P14416 5/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
HTT P42858 1/20 0.45
RBP4 P02753 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL13481127 0.83 DRD2 (0.47) DRD2RXRARXRBRXRGRBP4
SCHEMBL8136300 0.83 ALDH1A1 (0.58) ARRXRARXRBRXRGHTT
SCHEMBL2317520 0.83 RXRA (0.46) ARDRD2RXRARXRBRXRG
SCHEMBL20228046 0.82 KDM4E (0.53) DRD2HTTALDH1A1L3MBTL1CYP1A2
SCHEMBL7039560 0.81 MRGPRX4 (0.48) DRD2RXRARXRBRXRGRBP4
SCHEMBL18833336 0.81 RXRA (0.47) ARDRD2RXRARXRBRXRG
SCHEMBL30628194 0.80 HTT (0.48) ARRXRARXRBRXRGHTT
SCHEMBL17420735 0.80 HTT (0.48) ARRXRARXRBRXRGHTT
SCHEMBL10300150 0.80 ALDH1A1 (0.44) ARRXRARXRBRXRGHTT
SCHEMBL2974587 0.80 MAPT (0.56) HTTALDH1A1L3MBTL1CYP1A2CYP2C19

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
CN-105073715-A Dihydropyridazine-3,5-dione derivative CHUGAI PHARMACEUTICAL CO LTD 2015-11-18 CN disclosed