SCHEMBL31361527

SCHEMBL31361527

O=C(OCCCCCCS)c1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPT P10636 10/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ POLB P06746 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ MGAM O43451 1/20 0.47

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
SCHEMBL5935781 0.86 ALDH1A1 (0.57) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL28231527 0.83 KDM4E (0.58) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL24415719 0.80 KDM4E (0.61) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL30253505 0.76 KDM4E (0.64) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL431290 0.76 KDM4E (0.64) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL27673741 0.76 KDM4E (0.57) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL8403275 0.74 MAPT (0.79) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL3954441 0.73 MGAM (0.66) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL13791996 0.72 MAPT (0.64) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1
Acetic Acid SCHEMBL28239519 0.72 KDM4E (0.63) KDM4ESMN1; SMN2MAPTL3MBTL1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119038770-B Anionic scale inhibitor and preparation method thereof 南通善水环保科技有限公司 2025-03-28 — — CN claimed
CN-119038770-A Anionic scale inhibitor and preparation method thereof 南通善水环保科技有限公司 2024-11-29 — — CN claimed
CN-119038770-B Anionic scale inhibitor and preparation method thereof 南通善水环保科技有限公司 2025-03-28 — — CN disclosed
CN-119038770-A Anionic scale inhibitor and preparation method thereof 南通善水环保科技有限公司 2024-11-29 — — CN disclosed
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