SCHEMBL31541185

SCHEMBL31541185

CC(C)c1ccc(/C=N/CC/N=C/c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
TYR P14679 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ESRRG P62508 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13342742 0.85 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14520268 0.80 SMN1; SMN2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8242996 0.77 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1266533 0.77 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1266532 0.77 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12435339 0.77 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5721920 0.76 CYP1A2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5721923 0.76 CYP1A2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2164204 0.76 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2164208 0.76 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2025061216-A1 COORDINATION COMPOUNDS OF RUTHENIUM AND OSMIUM FOR USE IN THE TREATMENT OF LUNG CANCER UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2025-03-27 WO disclosed