SCHEMBL30645474

SCHEMBL30645474

Cc1ccccc1Nc1cccc2c1oc1c(C3CCCCC3)cc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SLC2A1 P11166 1/20 0.36
CYP1B1 Q16678 1/20 0.35
C1R P00736 1/20 0.34

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
SCHEMBL21904623 1.00 TP53 (0.38) TP53ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL21972420 0.94 TP53 (0.36) TP53ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL21972863 0.91 CCR4 (0.39) TP53ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL21972421 0.89 RAPGEF4 (0.37) TP53ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL21972416 0.89 TP53 (0.37) TP53ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL23348086 0.88 CYP1B1 (0.39) ALDH1A1LMNASMN1; SMN2HPGDKDM4E
SCHEMBL30645487 0.88 ALDH1A1 (0.40) TP53ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL18482060 0.88 ALDH1A1 (0.40) TP53ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL21972861 0.87 SMN1; SMN2 (0.36) LMNASMN1; SMN2MAPTSLC2A1CYP1B1
SCHEMBL21972415 0.86 ALDH1A1 (0.41) TP53ALDH1A1SMN1; SMN2MAPTHPGD

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
CN-110896635-B Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2023-11-03 CN disclosed