SCHEMBL30162686

SCHEMBL30162686

COC(=O)c1ccn(CCN(CCO)C(=O)OC(C)(C)C)n1.Cc1cn(CCN(CCO)C(=O)OC(C)(C)C)nc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SSTR4 P31391 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ PTGER1 P34995 1/20 0.30

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
SCHEMBL24841241 0.88 KMT2A (0.46) KMT2AMEN1NPC1RAB9ASSTR4
SCHEMBL24842025 0.78 SSTR4 (0.42) KMT2AMEN1NPC1RAB9ASSTR4
SCHEMBL24842018 0.78 SSTR4 (0.41) KMT2AMEN1NPC1RAB9ASSTR4
SCHEMBL30162854 0.78 KMT2A (0.41) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL30162944 0.73 SSTR4 (0.34) SSTR4P2RX3
SCHEMBL30163004 0.72 L3MBTL1 (0.34) SSTR4CSNK2A1
SCHEMBL24842027 0.71 SSTR4 (0.38) SSTR4POLBCA14P2RX3ALDH1A1
SCHEMBL24841256 0.71 SSTR4 (0.40) SSTR4POLBCA14P2RX3
SCHEMBL29601443 0.69 KMT2A (0.39) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL30162682 0.68 KMT2A (0.36) KMT2AMEN1NPC1RAB9APOLB

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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