SCHEMBL21782627

SCHEMBL21782627

COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(I)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.49
▸ ATM Q13315 2/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ MAPT P10636 3/20 0.45
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ PAX8 Q06710 1/20 0.42

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
SCHEMBL19975659 0.88 TDP1 (0.50) TDP1ATMMEN1KMT2AGAA
SCHEMBL16217782 0.88 TDP1 (0.50) TDP1ATMMEN1KMT2AGAA
SCHEMBL5024804 0.88 MEN1 (0.55) TDP1ATMMEN1KMT2AGAA
SCHEMBL16263593 0.87 TDP1 (0.49) TDP1ATMMEN1KMT2AGAA
SCHEMBL8075065 0.86 MEN1 (0.56) TDP1ATMMEN1KMT2AGAA
SCHEMBL8602068 0.86 TDP1 (0.48) TDP1ATMMEN1KMT2AGAA
SCHEMBL15976620 0.86 MEN1 (0.55) TDP1ATMMEN1KMT2AGAA
SCHEMBL12192757 0.86 CTSS (0.51) TDP1ATMMEN1KMT2AGAA
SCHEMBL31206803 0.86 TDP1 (0.48) TDP1ATMMEN1KMT2AGAA
SCHEMBL16504664 0.86 CTSS (0.53) TDP1ATMMEN1KMT2AGAA

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
EP-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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