SCHEMBL31048765

SCHEMBL31048765

COC(=O)CCc1cccnc1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPIA P62937 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL31048845 1.00 LMNA (0.45) LMNAALDH1A1SMN1; SMN2PPIACCNC
SCHEMBL29166063 0.88 LMNA (0.45) LMNAALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL27484071 0.87 CYP4F2 (0.57) LMNAALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL31048772 0.85 PPIA (0.42) ALDH1A1PPIAKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL31048914 0.84 PPIA (0.41) ALDH1A1PPIAKDM4EKMT2AMEN1
SCHEMBL29039959 0.82 METAP1 (0.44) LMNAALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL13964874 0.81 MME (0.48) LMNAALDH1A1SMN1; SMN2PPIAKDM4E
SCHEMBL8665005 0.79 SLC13A5 (0.54) LMNAALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL27485910 0.79 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2CCNCCDK8
SCHEMBL10438855 0.79 CYP4F2 (0.58) LMNAALDH1A1SMN1; SMN2CCNCCDK8

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-118359535-A Synthesis method of N-tert-butoxycarbonyl-3-pyridyl-D/L-alanine 武汉理工大学 2024-07-19 CN disclosed