SCHEMBL29660347

SCHEMBL29660347

COc1ccc2c(c1C(N)=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FLT3 P36888 4/20 0.46
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
RECQL P46063 2/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL22102558 1.00 L3MBTL1 (0.47) L3MBTL1KDM4EPOLBCTDSP1TDP1
SCHEMBL22102561 0.85 CA12 (0.50) L3MBTL1KDM4ETDP1KMT2AMEN1
SCHEMBL29660431 0.85 CA12 (0.50) L3MBTL1KDM4ETDP1KMT2AMEN1
SCHEMBL7270589 0.82 CA12 (0.50) L3MBTL1POLBTDP1KMT2AMEN1
SCHEMBL7675302 0.81 MEN1 (0.41) KDM4EFLT3KMT2AMEN1RECQL
SCHEMBL11722874 0.81 MAPT (0.49) KDM4EPOLBTDP1KMT2AMEN1
SCHEMBL13091618 0.80 POLB (0.41) KDM4EPOLBFLT3KMT2AMEN1
SCHEMBL7270717 0.79 MAPT (0.46) L3MBTL1KDM4EPOLBTDP1KMT2A
SCHEMBL28643739 0.78 ALDH1A1 (0.40) KDM4ETDP1FLT3KMT2AMEN1
SCHEMBL5810242 0.76 FLT3 (0.41) KDM4EPOLBFLT3KMT2AMEN1

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-113195492-B Novel compound with three-fused ring structure, preparation method and application thereof 信达生物制药(苏州)有限公司 2022-07-08 CN disclosed