SCHEMBL13819072

SCHEMBL13819072

COC(c1ccccc1)C(C)N(C)C(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 3/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
OPRK1 P41145 1/20 0.40
MITF O75030 1/20 0.40
EPHX2 P34913 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNA5 P22460 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALPL P05186 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 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
SCHEMBL13819341 0.87 KMT2A (0.44) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL13819023 0.82 GAA (0.54) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL3390661 0.82 GAA (0.54) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL13818951 0.82 GAA (0.54) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL13819191 0.82 GAA (0.54) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL12862942 0.77 ALDH1A1 (0.53) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL12983919 0.73 L3MBTL1 (0.44) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL13034561 0.72 TSPO (0.48) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL12984466 0.71 LMNA (0.47) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL306106 0.70 ALDH1A1 (0.53) ALDH1A1GAALMNANAPRTP4HTM

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
WO-2009068284-A2 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF KETOIMINES CATALYSED BY TRICHLOROSILANE UNIVERSITA DEGLI STUDI DI MILANO (IT) 2009-06-04 WO disclosed