SCHEMBL28958198

SCHEMBL28958198

CCCC(=O)Cc1cccc2c1ccc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
VNN1 O95497 1/20 0.46
ATM Q13315 1/20 0.44
HPRT1 P00492 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
IAPP P10997 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7196924 0.90 TDP1 (0.62) TDP1VNN1ATML3MBTL1KMT2A
SCHEMBL29875565 0.90 TDP1 (0.62) TDP1VNN1ATML3MBTL1KMT2A
SCHEMBL28879925 0.89 TDP1 (0.53) TDP1VNN1ATMHPRT1L3MBTL1
SCHEMBL28630441 0.82 TDP1 (0.56) TDP1ATMHPRT1L3MBTL1KMT2A
SCHEMBL10628907 0.80 TDP1 (0.79) TDP1ATMHPRT1L3MBTL1KMT2A
SCHEMBL27784108 0.80 TDP1 (0.79) TDP1ATMHPRT1L3MBTL1KMT2A
SCHEMBL1781872 0.80 TDP1 (0.58) TDP1ATMHPRT1L3MBTL1KMT2A
SCHEMBL29972613 0.79 HPRT1 (0.58) TDP1ATMHPRT1HPGDALDH1A1
SCHEMBL574431 0.79 HPRT1 (0.58) TDP1ATMHPRT1HPGDALDH1A1
SCHEMBL2528231 0.79 HPRT1 (0.58) TDP1ATMHPRT1HPGDALDH1A1

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-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed