SCHEMBL29024494

SCHEMBL29024494

NC1CCCN(C(=O)c2cccc(C(=O)O)n2)C1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.67
PIM1 P11309 4/20 0.49
PIM3 Q86V86 2/20 0.49
PIM2 Q9P1W9 2/20 0.49
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM1A O60341 8/20 0.45
PRKCQ Q04759 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE2A O00408 1/20 0.42
PADI4 Q9UM07 1/20 0.41

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
SCHEMBL29024492 1.00 GNE (0.67) GNEPIM1PIM3PIM2KDM4E
SCHEMBL29024498 0.85 PIM1 (0.48) GNEPIM1PIM3PIM2KDM1A
SCHEMBL29024496 0.85 PIM1 (0.48) GNEPIM1PIM3PIM2KDM1A
SCHEMBL20854826 0.81 GNE (0.93) GNEKDM4EALOX15TSHRACMSD
SCHEMBL12168473 0.79 GNE (0.97) GNEKDM4EALOX15TSHRACMSD
SCHEMBL3314769 0.77 HPGD (0.59) KDM4EPDE2APADI4
SCHEMBL3314775 0.77 HPGD (0.59) KDM4EPDE2APADI4
SCHEMBL27970474 0.77 HPGD (0.59) KDM4EPDE2APADI4
Hydrochloric Acid SCHEMBL30708065 0.76 HPGD (0.57) KDM4EPDE2APADI4
SCHEMBL13850113 0.74 KDM1A (0.46) KDM1A

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-116354862-A Substituted azacyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed