SCHEMBL29128530

SCHEMBL29128530

O=C(c1ccccc1)c1nc(Cl)nc(C(=O)c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
SRD5A2 P31213 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 4/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
NPC1 O15118 3/20 0.43
HPGD P15428 1/20 0.42
PBRM1 Q86U86 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL28489651 0.89 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1SRD5A2ATM
SCHEMBL19295108 0.87 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SRD5A2ATM
SCHEMBL134274 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SRD5A2ATM
SCHEMBL28380942 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SRD5A2ATM
Benzophenone SCHEMBL23175179 0.79 ALDH1A1 (0.93) ALDH1A1KMT2AMEN1SRD5A2ATM
Benzophenone SCHEMBL185510 0.79 ALDH1A1 (0.93) ALDH1A1KMT2AMEN1SRD5A2ATM
Benzophenone SCHEMBL941346 0.79 ALDH1A1 (0.93) ALDH1A1KMT2AMEN1SRD5A2ATM
SCHEMBL13538244 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SRD5A2ATM
SCHEMBL12551615 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SRD5A2ATM
Benzophenone SCHEMBL29153438 0.77 ALDH1A1 (0.88) ALDH1A1KMT2AMEN1SRD5A2ATM

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-111164182-B Organic light emitting device 株式会社LG化学 2024-02-02 CN disclosed
CN-117263877-A Compound, organic electroluminescent device and display device SK株式会社 2023-12-22 CN disclosed