SCHEMBL29134977

SCHEMBL29134977

O=Cc1ccc2cccc(Cl)c2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP2A6 P11509 3/20 0.38
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ELANE P08246 1/20 0.33
PARP1 P09874 2/20 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
SCHEMBL5276864 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL29587339 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL30234436 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL2475165 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL32889344 0.76 POLB (0.47) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL3267169 0.73 CYP2A6 (0.48) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL24034519 0.72 MAPK1 (0.39) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL25379960 0.72 MEN1 (0.40) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL29134975 0.72 ALDH1A1 (0.45) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL25256276 0.72 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TSHRHSD17B10

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