SCHEMBL29315992

SCHEMBL29315992

CC(C)n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
UTS2R Q9UKP6 1/20 0.43
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPY5R Q15761 6/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 3/20 0.37
HTT P42858 1/20 0.37
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36

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
SCHEMBL23773037 0.81 BCHE (0.45) BCHEACHEMEN1KMT2AATM
SCHEMBL29317888 0.80 BCHE (0.38) BCHEACHEMEN1KMT2AUTS2R
SCHEMBL29780042 0.80 BCHE (0.59) BCHEACHEMEN1KMT2AUTS2R
SCHEMBL150044 0.80 BCHE (0.59) BCHEACHEMEN1KMT2AUTS2R
SCHEMBL26237869 0.79 UTS2R (0.50) BCHEACHEMEN1KMT2AUTS2R
SCHEMBL15275556 0.77 GPR3 (0.59) BCHEACHEMEN1KMT2AATM
SCHEMBL20096984 0.77 UTS2R (0.46) BCHEACHEMEN1KMT2AUTS2R
SCHEMBL22906561 0.76 GPR3 (0.57) BCHEACHEMEN1KMT2AATM
SCHEMBL27302030 0.76 ALDH1A1 (0.42) ATMALDH1A1KDM4EL3MBTL1POLB
SCHEMBL24264458 0.76 POLB (0.47) BCHEACHEMEN1KMT2AUTS2R

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
US-20240244857-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244857-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed