SCHEMBL30032878

SCHEMBL30032878

CC(C)(C)OC(=O)N1CCNCC1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ HSD11B1 P28845 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL30945108 0.86 NR1H2 (0.40) MEN1KMT2APARP1HSD11B1GPR119
SCHEMBL2253695 0.85 NR1H2 (0.44) PARP1KDM4EGPR119CA1CA2
SCHEMBL30165832 0.81 ALDH1A1 (0.50) MAPTALDH1A1LMNAADRB1SIRT6
SCHEMBL30080495 0.76 STS (0.49) MAPTALDH1A1LMNAPARP1SMN1; SMN2
SCHEMBL31634907 0.76 ALDH1A1 (0.52) MAPTALDH1A1LMNAKMT2APARP1
SCHEMBL31437077 0.75 ALDH1A1 (0.43) MAPTALDH1A1LMNAKMT2A
SCHEMBL8147630 0.75 MAPT (0.43) MAPTALDH1A1LMNAPARP1KDM4E
SCHEMBL4265890 0.74 HTR6 (0.41) ALDH1A1LMNAMEN1KMT2APARP1
SCHEMBL1871191 0.74 ALDH1A1 (0.61) MAPTALDH1A1LMNAKDM4EGPR119
SCHEMBL31257816 0.73 ALDH1A1 (0.42) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286617-B PROTAC compound for targeted degradation of NAMPT and application thereof 中国人民解放军海军军医大学 2024-04-30 — — CN disclosed
CN-115286617-A Protac compound for targeted degradation of NAMPT and application thereof 中国人民解放军海军军医大学 2022-11-04 — — CN disclosed
Send feedback