SCHEMBL30162682

SCHEMBL30162682

COC(=O)c1ccn(C/C=C\CO[Si](C)(C)C(C)(C)C)n1.Cc1cn(C/C=C\CO[Si](C)(C)C(C)(C)C)nc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PTGER1 P34995 1/20 0.31

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
SCHEMBL30162822 0.88 KMT2A (0.44) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL30162854 0.70 KMT2A (0.41) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL24842774 0.70 NPC1 (0.51) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL29601443 0.70 KMT2A (0.39) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL24841394 0.69 HPGD (0.34) KMT2AMEN1ALDH1A1
SCHEMBL30162686 0.68 KMT2A (0.37) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL28851114 0.62 NPC1 (0.53) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL864467 0.62 KMT2A (0.59) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL10133288 0.62 ALDH1A1 (0.63) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5492198 0.62 NPC1 (0.40) KMT2ANPC1RAB9APOLBALDH1A1

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
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO claimed
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO disclosed
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