SCHEMBL31211865

SCHEMBL31211865

O=C(O)c1c(N2C3CCC2COC3)nn2cccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KCNQ3 O43525 3/20 0.35
▸ KCNQ2 O43526 3/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ PIK3CD O00329 3/20 0.34
▸ PIK3CG P48736 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PIK3R2 O00459 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR3A P46098 3/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL31211879 0.93 HTR3A (0.37) HPGDSMN1; SMN2ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL31211872 0.83 KDM4E (0.41) HPGDSMN1; SMN2ALDH1A1HTR3APDE2A
SCHEMBL31211868 0.77 KDM4E (0.39) HPGDALDH1A1HTR3APDE2A
SCHEMBL31211913 0.75 IRAK4 (0.41) APOBEC3AAPOBEC3GMEN1KMT2AL3MBTL1
SCHEMBL30408161 0.74 IRAK4 (0.40) HPGDSMN1; SMN2APOBEC3AAPOBEC3GPIK3CA
SCHEMBL31211922 0.74 APOBEC3A (0.38) HPGDSMN1; SMN2ALDH1A1KCNQ3KCNQ2
SCHEMBL31211802 0.74 L3MBTL1 (0.36) HPGDALDH1A1KCNQ3KCNQ2APOBEC3A
SCHEMBL31211952 0.74 L3MBTL1 (0.36) HPGDSMN1; SMN2ALDH1A1KCNQ3KCNQ2
SCHEMBL25338101 0.74 SMPD3 (0.46) KCNQ3KCNQ2APOBEC3AAPOBEC3GMEN1
SCHEMBL31211998 0.74 SMPD3 (0.42) KCNQ3KCNQ2APOBEC3AAPOBEC3GMEN1

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
CN-118973581-A IRAK degradation agent and application thereof 凯麦拉医疗公司 2024-11-15 — — CN disclosed
Send feedback