SCHEMBL24843680

SCHEMBL24843680

O=C(O)CCn1cccnc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ EGLN3 Q9H6Z9 2/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CREBBP Q92793 1/20 0.39
▸ TBXAS1 P24557 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ITGB5 P18084 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
SCHEMBL30179415 0.83 PSMB1 (0.44) ESR1MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL1155881 0.81 ALDH1A1 (0.42) MAPTPOLBHDAC6ALDH1A1MEN1
SCHEMBL17077928 0.75 — —
SCHEMBL11964124 0.73 LMNA (0.38) MAPTSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL8516519 0.71 TLR8 (0.50) MAPTSMN1; SMN2POLBTBXAS1L3MBTL1
SCHEMBL10070297 0.71 — —
SCHEMBL28424796 0.70 ESR1 (0.58) ESR1MAPTSMN1; SMN2EGLN3PARP1
SCHEMBL21855432 0.70 PSMB1 (0.62) ESR1MAPTSMN1; SMN2EGLN3PARP1
SCHEMBL18934385 0.70 CDA (0.36) MAPT
SCHEMBL2127227 0.70 MTNR1A (0.62) ESR1MAPTSMN1; SMN2EGLN3PARP1

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
WO-2023278456-A2 PYRIMIDINE-COMPLIANT PEPTIDE NUCLEIC ACID COMPOSITIONS AND METHODS OF USE THEREOF NEUBASE THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
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