SCHEMBL31587487

SCHEMBL31587487

N#Cc1ccc(N2CCC(C#N)CC2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 8/20 0.45
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
NR4A1 P22736 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S100B P04271 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 3/20 0.36
LMNA P02545 1/20 0.36
GAK O14976 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE3B Q13370 1/20 0.35

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
SCHEMBL23850705 1.00 KDM4E (0.47) KDM4EALDH1A1GAAPOLBNR4A1
SCHEMBL31588227 0.86 GAA (0.41) KDM4EALDH1A1GAAPOLBNR4A1
SCHEMBL23851980 0.86 GAA (0.41) KDM4EALDH1A1GAAPOLBNR4A1
SCHEMBL26143861 0.85 KDM4E (0.56) KDM4EALDH1A1GAAPOLBNR4A1
SCHEMBL10278266 0.82 KDM4E (0.47) KDM4EALDH1A1GAANR4A1MAPT
SCHEMBL29748980 0.81 TNIK (0.44) KDM4EALDH1A1GAAPOLBNR4A1
SCHEMBL26143864 0.81 KDM4E (0.40) KDM4EALDH1A1GAAPOLBNR4A1
SCHEMBL28799312 0.81 TNIK (0.44) KDM4EALDH1A1GAAPOLBNR4A1
SCHEMBL3085427 0.81 S100B (0.59) KDM4EALDH1A1GAAPOLBNR4A1
SCHEMBL13354909 0.80 DRD2 (0.53) KDM4EALDH1A1MAPTSMN1; SMN2S100B

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-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed