SCHEMBL30950636

SCHEMBL30950636

O=C(CNc1cccc(C(=O)Oc2ccc(Cl)cc2)c1)Nc1ccccc1Sc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.53
▸ LMNA P02545 6/20 0.53
▸ L3MBTL1 Q9Y468 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ ALDH1A1 P00352 7/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ BLM P54132 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ MAPT P10636 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL30950632 0.91 TDP1 (0.50) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL30950623 0.91 L3MBTL1 (0.51) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL30950631 0.86 L3MBTL1 (0.50) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL30950637 0.85 TDP1 (0.57) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL30950627 0.83 L3MBTL1 (0.53) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL30950628 0.83 TDP1 (0.50) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL30950621 0.83 ALDH1A1 (0.55) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL30950618 0.78 NPSR1 (0.65) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL30950620 0.77 ALDH1A1 (0.56) KMT2ALMNAL3MBTL1MEN1ALDH1A1
SCHEMBL30950619 0.72 ALDH1A1 (0.47) KMT2ALMNAL3MBTL1MEN1ALDH1A1

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
Send feedback