SCHEMBL26157461

SCHEMBL26157461

Brc1cccc2c1C(c1ccccc1)(c1cccc(-c3ccccc3)c1)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRK1 P41145 1/20 0.38
PDK2 Q15119 6/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
THRB P10828 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
BACE1 P56817 2/20 0.32
KCNH2 Q12809 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
SCHEMBL782649 0.89 MEN1 (0.46) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL28500082 0.85 MEN1 (0.50) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL23366482 0.84 PDK2 (0.42) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL30722944 0.84 MAPK1 (0.50) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL28656157 0.84 MAPK1 (0.50) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL15966167 0.84 ESR1 (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL23222870 0.83 PDK2 (0.48) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL30805720 0.82 LMNA (0.47) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL16858246 0.82 PDK2 (0.44) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL24730434 0.82 MEN1 (0.41) ALDH1A1MAPK1MEN1KMT2ALMNA

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-2023096210-A1 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2023-06-01 WO disclosed