SCHEMBL25382013

SCHEMBL25382013

O=C(NCc1nccs1)C(O)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ MMP8 P22894 1/20 0.44
▸ PSMB5 P28074 2/20 0.44
▸ PKM P14618 1/20 0.43
▸ GPR88 Q9GZN0 1/20 0.43
▸ PLA2G4A P47712 1/20 0.42
▸ CES1 P23141 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ NAPEPLD Q6IQ20 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL30562908 0.81 HPGD (0.63) SMN1; SMN2L3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL30567894 0.81 HPGD (0.63) SMN1; SMN2L3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL21012467 0.79 MMP8 (0.65) SMN1; SMN2L3MBTL1MMP8CYP2D6TSHR
SCHEMBL7777979 0.79 HPGD (0.64) SMN1; SMN2L3MBTL1KDM4EPKMPLA2G4A
Hydrochloric Acid SCHEMBL25383162 0.77 LAP3 (0.52) SMN1; SMN2L3MBTL1KDM4EPKMGPR88
Hydrochloric Acid SCHEMBL25383156 0.77 LAP3 (0.52) SMN1; SMN2L3MBTL1KDM4EPKMGPR88
SCHEMBL25381692 0.77 KDM4E (0.56) SMN1; SMN2L3MBTL1KDM4EPKMPLA2G4A
SCHEMBL18956515 0.77 HTT (0.57) SMN1; SMN2L3MBTL1PLA2G4ACES1HPGD
SCHEMBL16254379 0.77 PKM (0.50) SMN1; SMN2L3MBTL1KDM4EMMP8PKM
SCHEMBL18956313 0.76 PLA2G4A (0.59) SMN1; SMN2L3MBTL1PLA2G4ACES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693447-B Ketone amide derivative and pharmaceutical application thereof 成都威斯克生物医药有限公司 2024-08-13 — — CN disclosed
WO-2023165334-A1 KETO AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 成都威斯克生物医药有限公司 2023-09-07 — — WO disclosed
CN-116693447-A Ketone amide derivative and pharmaceutical application thereof 成都威斯克生物医药有限公司 2023-09-05 — — CN disclosed
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