SCHEMBL29015346

SCHEMBL29015346

Cc1cccc2nncc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.39
CD44 P16070 1/20 0.39
BCHE P06276 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 2/20 0.36
ELANE P08246 2/20 0.36
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL8404445 0.82 MEN1 (0.42) ACHEBCHEGRIN1GRIN2AMEN1
SCHEMBL29015564 0.77 ACHE (0.38) ACHEMEN1ALDH1A1MAPTKMT2A
SCHEMBL11627568 0.74 ELANE (0.45) ACHEALDH1A1PARP1ELANETSHR
SCHEMBL24507538 0.69 KDM4E (0.41) CD44MEN1ALDH1A1MAPTKMT2A
SCHEMBL10147922 0.69 ACHE (0.46) ACHECD44BCHEGRIN1GRIN2A
SCHEMBL10250830 0.69 NCF1 (0.56) ACHEBCHEGRIN1GRIN2AMEN1
SCHEMBL1960424 0.67 GPR3 (0.50) ACHEMEN1ALDH1A1MAPTKMT2A
SCHEMBL4507822 0.67 NCF1 (0.44) ACHECD44BCHEGRIN1GRIN2A
SCHEMBL17278414 0.67 CYP3A4 (0.41) ACHECD44BCHEGRIN1GRIN2A
SCHEMBL10200824 0.65 ELANE (0.39) ACHEBCHEGRIN1GRIN2APARP1

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-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed