SCHEMBL13819341

SCHEMBL13819341

CC(C(OC(=O)c1ccccn1)c1ccccc1)N(C)C(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 6/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 3/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APP P05067 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 2/20 0.39
OPRK1 P41145 1/20 0.39
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.38
ALPL P05186 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL13819072 0.87 ALDH1A1 (0.43) KMT2AALDH1A1GAALMNANAPRT
SCHEMBL3390661 0.80 GAA (0.54) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL13819023 0.80 GAA (0.54) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL13818951 0.80 GAA (0.54) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL13819191 0.80 GAA (0.54) ALDH1A1GAALMNANAPRTP4HTM
SCHEMBL14861992 0.76 NPC1 (0.44) KMT2AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL12862942 0.75 ALDH1A1 (0.53) KMT2AALDH1A1GAALMNANAPRT
SCHEMBL11535859 0.73 LMNA (0.53) KMT2AALDH1A1LMNANAPRTP4HTM
SCHEMBL9944382 0.73 KMT2A (0.58) KMT2AALDH1A1LMNANAPRTP4HTM
SCHEMBL30731163 0.73 KMT2A (0.58) KMT2AALDH1A1LMNANAPRTP4HTM

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