SCHEMBL28304572

SCHEMBL28304572

NNC(C(=O)OC(=O)c1cccnc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
EPHX2 P34913 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLOD2 O00469 1/20 0.46
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL810373 0.81 LMNA (0.55) ALDH1A1LMNAKMT2AHTTTDP1
SCHEMBL4169756 0.76 ALDH1A1 (0.65) ALDH1A1LMNAKMT2ATDP1CYP2C9
SCHEMBL25288322 0.75 ALDH1A1 (0.59) ALDH1A1LMNAKMT2ATDP1CYP2C9
SCHEMBL2491556 0.74 ALDH1A1 (0.71) ALDH1A1LMNAKMT2ATDP1CYP2C9
SCHEMBL31648307 0.74 ALDH1A1 (0.71) ALDH1A1LMNAKMT2ATDP1CYP2C9
SCHEMBL30659698 0.74 ALDH1A1 (0.71) ALDH1A1LMNAKMT2ATDP1CYP2C9
SCHEMBL30605728 0.74 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATDP1PLOD2
SCHEMBL27851778 0.74 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATDP1APP
SCHEMBL28103782 0.74 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATDP1PLOD2
SCHEMBL1173304 0.73 ALDH1A1 (0.53) ALDH1A1LMNAKMT2ATDP1PLOD2

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-105764514-B Aminopyridine derivatives as inhibitors of TAM family kinases 圣诺康生命科学公司 2019-07-12 CN disclosed