SCHEMBL27717845

SCHEMBL27717845

CCC(N)C(=O)OC(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.54
LMNA P02545 6/20 0.53
KMT2A Q03164 6/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.47
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
SIRT4 Q9Y6E7 1/20 0.46
MAPT P10636 5/20 0.46

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
SCHEMBL10620479 0.87 ALDH1A1 (0.51) L3MBTL1ALDH1A1LMNAKMT2ATDP1
SCHEMBL28276065 0.86 KMT2A (0.50) L3MBTL1ALDH1A1LMNAKMT2ATDP1
SCHEMBL28311549 0.84 KMT2A (0.49) L3MBTL1ALDH1A1LMNAKMT2ATDP1
SCHEMBL7592440 0.81 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAKMT2ATDP1
SCHEMBL28059209 0.81 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAKMT2ATDP1
SCHEMBL27995293 0.81 ALDH1A1 (0.55) L3MBTL1ALDH1A1LMNAKMT2ATDP1
SCHEMBL27601968 0.80 F7 (0.53) L3MBTL1ALDH1A1LMNAKMT2AF7
SCHEMBL27851778 0.80 ALDH1A1 (0.62) L3MBTL1ALDH1A1LMNAKMT2ATDP1
Ethyl Nicotinate SCHEMBL30545166 0.79 L3MBTL1 (0.62) L3MBTL1ALDH1A1LMNAKMT2ATDP1
SCHEMBL811679 0.79 ALDH1A1 (0.60) L3MBTL1ALDH1A1LMNAKMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101289421-A Method for synthesizing nicotinyl amino acids and sensitizing effect thereof to tumor radiotherapy RADIOLOGY RES INST CHINESE ACA (CN) 2008-10-22 CN claimed
CN-101289421-A Method for synthesizing nicotinyl amino acids and sensitizing effect thereof to tumor radiotherapy RADIOLOGY RES INST CHINESE ACA (CN) 2008-10-22 CN disclosed