SCHEMBL22299609

SCHEMBL22299609

COc1ccccc1/C=N/c1ccc(N)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
EP300 Q09472 1/20 0.50
KAT8 Q9H7Z6 1/20 0.50
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL22299216 0.88 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1727879 0.79 POLB (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2288123 0.79 POLB (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2548993 0.77 POLB (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22299853 0.77 CA12 (0.61) IDO1EP300KAT8MEN1KMT2A
SCHEMBL9073624 0.75 IDO1 (0.58) IDO1EP300KAT8MEN1KMT2A
SCHEMBL9073623 0.75 IDO1 (0.58) IDO1EP300KAT8MEN1KMT2A
SCHEMBL22299852 0.74 MEN1 (0.50) IDO1EP300KAT8MEN1KMT2A
SCHEMBL22299604 0.73 PTGS2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9358664 0.73 SMN1; SMN2 (0.47) 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-2020156832-A1 DICHROIC AZO-AZOMETHINE DYES FOR LIQUID CRYSTAL COMPOSITIONS BASF SE (DE) 2020-08-06 WO disclosed