SCHEMBL30950628

SCHEMBL30950628

COc1ccccc1OC(=O)c1cccc(NCC(=O)Nc2ccccc2Sc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.50
▸ L3MBTL1 Q9Y468 6/20 0.48
▸ KMT2A Q03164 9/20 0.48
▸ ALDH1A1 P00352 8/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ HPGD P15428 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 4/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL30950627 0.91 L3MBTL1 (0.53) TDP1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL30950637 0.89 TDP1 (0.57) TDP1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL30950632 0.89 TDP1 (0.50) TDP1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL30950623 0.85 L3MBTL1 (0.51) TDP1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL30950631 0.84 L3MBTL1 (0.50) TDP1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL30950636 0.83 KMT2A (0.53) TDP1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL30950621 0.83 ALDH1A1 (0.55) TDP1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL30950611 0.79 NPSR1 (0.66) KMT2AALDH1A1MEN1HPGDLMNA
SCHEMBL30950620 0.77 ALDH1A1 (0.56) TDP1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL30950619 0.74 ALDH1A1 (0.47) TDP1L3MBTL1KMT2AALDH1A1MEN1

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
WO-2024128335-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES 전남대학교산학협력단 2024-06-20 — — WO disclosed
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