SCHEMBL28947701

SCHEMBL28947701

COC(=O)c1c(C(=O)O)ccnc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
KDM6B O15054 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM5C P41229 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
ASPH Q12797 2/20 0.42
KDM8 Q8N371 2/20 0.42
LMNA P02545 2/20 0.41
ATR Q13535 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4A O75164 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL21749959 0.90 KDM4E (0.53) KDM4EALDH1A1GLAGAAKDM6B
SCHEMBL28876515 0.87 KDM4E (0.50) NAPRTKDM4EALDH1A1GLAGAA
SCHEMBL27648146 0.83 NAPRT (0.44) NAPRTKDM4EALDH1A1GLAGAA
SCHEMBL19857454 0.82 NAPRT (0.57) NAPRTKDM4EALDH1A1KDM6BKDM4C
SCHEMBL27727269 0.81 ATR (0.51) KDM4EALDH1A1GLAGAAKDM6B
SCHEMBL27610033 0.81 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAKDM6B
SCHEMBL20520322 0.81 NAPRT (0.52) NAPRTKDM4EALDH1A1KDM6BKDM4C
SCHEMBL31043221 0.80 ATR (0.49) KDM4EALDH1A1GLAGAAKDM6B
SCHEMBL28128057 0.80 KDM4E (0.50) KDM4EALDH1A1GLAGAAKDM6B
SCHEMBL2014671 0.79 NOS2 (0.47) KDM4EALDH1A1GLAGAAKDM6B

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-110291065-B Novel isoindoline derivative, pharmaceutical composition and application thereof 康朴生物医药技术(上海)有限公司 2022-08-19 CN disclosed