SCHEMBL24842019

SCHEMBL24842019

O=C(NO)c1ccn(CCNCCO)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.46
▸ HDAC3 O15379 9/20 0.44
▸ HDAC4 P56524 9/20 0.44
▸ HDAC7 Q8WUI4 9/20 0.44
▸ HDAC2 Q92769 9/20 0.44
▸ HDAC10 Q969S8 9/20 0.44
▸ HDAC11 Q96DB2 9/20 0.44
▸ HDAC8 Q9BY41 9/20 0.44
▸ HDAC6 Q9UBN7 9/20 0.44
▸ HDAC9 Q9UKV0 9/20 0.44
▸ HDAC5 Q9UQL6 9/20 0.44
▸ CYP3A4 P08684 1/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ HIF1A Q16665 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL24842026 0.84 HDAC1 (0.36) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24841261 0.73 SLC40A1 (0.38) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24842046 0.72 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24842021 0.71 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL30163102 0.71 RAB9A (0.56) HDAC1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6304219 0.71 ALDH1A1 (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24841249 0.71 SMYD3 (0.39) SMN1; SMN2
SCHEMBL6309567 0.70 ALDH1A1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24842025 0.69 SSTR4 (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL15202347 0.67 SMN1; SMN2 (0.50) HDAC1NPC1RAB9ASMN1; SMN2POLB

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 3 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
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO disclosed
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