SCHEMBL6670233

SCHEMBL6670233

CC(=O)c1cc(Cl)cc(NCc2ccccc2Sc2ccc(Cl)cc2)c1O.CC(=O)c1cc(Cl)cc(NCc2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.41
IDO1 P14902 1/20 0.40
BCL2L1 Q07817 2/20 0.39
ALDH1A1 P00352 4/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
MITF O75030 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 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
SCHEMBL4348909 0.98 MAPT (0.45) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL6247704 0.97 MAPT (0.41) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL6670236 0.93 MAPT (0.38) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL4351160 0.92 SLC6A4 (0.43) MEN1KMT2AGAALMNAALDH1A1
SCHEMBL4350918 0.91 NPC1 (0.45) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL4349809 0.86 SMN1; SMN2 (0.43) MAPTMEN1KMT2APKMLMNA
SCHEMBL4342324 0.86 MAPT (0.46) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL4354316 0.86 BLM (0.38) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL4351716 0.85 TBXA2R (0.44) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL4357651 0.83 MAPT (0.43) MAPTMEN1KMT2APLA2G1BATG4B

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-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed