SCHEMBL27424267

SCHEMBL27424267

CC(=O)c1cccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)[S+](C)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.52
▸ NPSR1 Q6W5P4 6/20 0.52
▸ RECQL P46063 1/20 0.52
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ BLM P54132 1/20 0.46
▸ L3MBTL1 Q9Y468 6/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 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
SCHEMBL24445728 0.81 NPSR1 (0.77) LMNANPSR1RECQLKMT2AMEN1
SCHEMBL29847323 0.81 NPSR1 (0.77) LMNANPSR1RECQLKMT2AMEN1
SCHEMBL30950630 0.74 NPSR1 (0.78) LMNANPSR1RECQLKMT2AMEN1
SCHEMBL30950633 0.72 NPSR1 (0.74) LMNANPSR1RECQLKMT2AMEN1
SCHEMBL27401806 0.71 NPSR1 (0.62) LMNANPSR1RECQLKMT2AMEN1
SCHEMBL30950617 0.69 NPSR1 (0.80) LMNANPSR1RECQLKMT2AMEN1
SCHEMBL30950611 0.68 NPSR1 (0.66) LMNANPSR1RECQLKMT2AMEN1
SCHEMBL30950622 0.68 NPSR1 (0.66) LMNANPSR1RECQLKMT2AMEN1
SCHEMBL30950635 0.68 NPSR1 (0.66) LMNANPSR1RECQLKMT2AMEN1
SCHEMBL30950624 0.68 NPSR1 (0.66) LMNANPSR1RECQLKMT2AMEN1

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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