SCHEMBL29134682

SCHEMBL29134682

Clc1cc(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.50
ADORA1 P30542 7/20 0.46
CSNK2A1 P68400 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EIF4E P06730 1/20 0.39
CYP2A6 P11509 1/20 0.39
CNR1 P21554 2/20 0.38
MAPT P10636 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL29134679 0.86 CYP2A6 (0.53) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL30973837 0.84 ADORA2A (0.49) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL29135048 0.84 CYP2A6 (0.46) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL30708982 0.80 L3MBTL1 (0.53) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL30708981 0.80 ADORA1 (0.54) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL29135049 0.80 ADORA1 (0.54) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL22911636 0.79 L3MBTL1 (0.59) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL16750246 0.78 CKS1B (0.52) ADORA2ACKS1BSKP1SKP2KDM4E
SCHEMBL87574 0.78 CKS1B (0.55) CKS1BSKP1SKP2KDM4EGAA
SCHEMBL30708988 0.77 ADORA1 (0.51) ADORA2AADORA1CKS1BSKP1SKP2

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-117343102-A Compound, organic electroluminescent device and display device SK株式会社 2024-01-05 CN disclosed