SCHEMBL31065870

SCHEMBL31065870

CCCCCC(=O)NC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(O)=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HLCS P50747 3/20 0.58
▸ TDP1 Q9NUW8 5/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CNR1 P21554 1/20 0.51
▸ FOLH1 Q04609 3/20 0.49
▸ CAPN1 P07384 2/20 0.47
▸ CA12 O43570 4/20 0.46
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ PTPRF P10586 1/20 0.45
▸ PTPN2 P17706 1/20 0.45

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
SCHEMBL6159219 0.92 HLCS (0.60) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5817718 0.90 HLCS (0.63) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5821183 0.89 HLCS (0.64) HLCSTDP1MEN1ABL1LMNA
SCHEMBL515856 0.89 HLCS (0.64) HLCSTDP1MEN1ABL1LMNA
SCHEMBL2456107 0.89 HLCS (0.64) HLCSTDP1MEN1ABL1LMNA
SCHEMBL30337427 0.89 HLCS (0.58) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5804916 0.88 TDP1 (0.61) HLCSTDP1MEN1ABL1LMNA
SCHEMBL30800274 0.88 TDP1 (0.61) HLCSTDP1MEN1ABL1LMNA
SCHEMBL13034043 0.85 HLCS (0.59) HLCSTDP1MEN1ABL1LMNA
SCHEMBL15185874 0.85 HLCS (0.67) HLCSTDP1MEN1ABL1LMNA

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-118510807-A Polymer interactive molecule conjugates and methods of use thereof 生命科技联合股份有限公司 2024-08-16 — — CN disclosed
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