SCHEMBL29134975

SCHEMBL29134975

Cc1ccc2cccc(Cl)c2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
CYP3A4 P08684 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP2A6 P11509 2/20 0.35
PARP1 P09874 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
GRIN1 Q05586 3/20 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
SCHEMBL28191 0.79 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL7832298 0.76 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL25379960 0.76 MEN1 (0.40) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL29128910 0.76 POLB (0.48) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL25256276 0.76 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL29134573 0.74 MEN1 (0.39) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL29863910 0.73
SCHEMBL14127363 0.73
SCHEMBL2268836 0.73
SCHEMBL3441851 0.73 GABRA1 (0.52) ALDH1A1TSHRHSD17B10HPGDCYP3A4

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
CN-117362147-A Hydrogenated naphthoperylene compound, intermediate, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2024-01-09 CN disclosed
CN-117342959-A Hydrogenated naphthoperylene compound, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2024-01-05 CN disclosed