SCHEMBL29134567

SCHEMBL29134567

OCc1ccc2cccc(Cl)c2c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 4/20 0.36
CYP2A6 P11509 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
HPGD P15428 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1B1 Q16678 1/20 0.34
THRB P10828 1/20 0.33
POLB P06746 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAP2K4 P45985 1/20 0.32
GRIN1 Q05586 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
SCHEMBL29134571 0.84 MEN1 (0.38) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL20356191 0.79 CYP1A2 (0.43) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL2475824 0.77 PNMT (0.41) TSHRCYP1A2CYP2A6
SCHEMBL30689822 0.77 PNMT (0.41) TSHRCYP1A2CYP2A6
SCHEMBL29128910 0.76 POLB (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL25256276 0.72 ALDH1A1 (0.40) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL29134975 0.72 ALDH1A1 (0.45) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL25379960 0.72 MEN1 (0.40) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL596646 0.71 POLB (0.57) ALDH1A1HSD17B10TSHRRXFP1CYP1A2
SCHEMBL29134573 0.70 MEN1 (0.39) ALDH1A1HSD17B10MEN1KMT2ATSHR

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