SCHEMBL30440365

SCHEMBL30440365

CC1CN(CC(N)=O)CCN1Cc1cnc(N)s1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 11/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL30620432 0.84 OGA (0.73) OGA
SCHEMBL29057518 0.82 OGA (0.77) OGASMN1; SMN2ALDH1A1LMNA
SCHEMBL29057475 0.82 OGA (0.75) OGASIGMAR1TSHRALDH1A1LMNA
SCHEMBL30440214 0.81 OGA (0.44) OGASMN1; SMN2TSHRCYP2C19RECQL
SCHEMBL29057446 0.81 OGA (0.77) OGASMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL29057480 0.81 OGA (0.77) OGASMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL29057450 0.81 OGA (0.77) OGASMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL29057427 0.81 OGA (0.77) OGAALDH1A1KDM4E
SCHEMBL29057492 0.78 OGA (0.79) OGALMNAMEN1KMT2A
SCHEMBL10233603 0.76 MAPT (0.41) OGASMN1; SMN2TSHRMAPTALDH1A1

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-116438167-A Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof 美迪福伦DBT有限公司 2023-07-14 — — CN disclosed
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