SCHEMBL3220058

SCHEMBL3220058

O=C(CC1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Br)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.60
THRB P10828 2/20 0.60
POLB P06746 2/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 1/20 0.43
EGFR P00533 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3226493 0.78 MAPT (0.69) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL3211542 0.78 MAPT (0.74) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL3228715 0.75 MAPT (0.80) MAPTTHRBPOLBKMT2ANPC1
SCHEMBL3262032 0.70 MAPT (1.00) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL3262164 0.70 MAPT (0.67) MAPTTHRBPOLBKMT2AALDH1A1
SCHEMBL265268 0.67 RORC (0.47) MAPTTHRBALDH1A1
SCHEMBL265267 0.67 RORC (0.47) MAPTTHRBALDH1A1
SCHEMBL7018874 0.67 RORC (0.47) MAPTTHRBALDH1A1
SCHEMBL3215772 0.65 MAPT (0.80) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL5132529 0.65 MEN1 (0.46) MAPTTHRBPOLBKMT2AMEN1

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
WO-2010003197-A1 MORPHOLINE DERIVATIVES USED AS ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-01-14 WO claimed
WO-2010003197-A1 MORPHOLINE DERIVATIVES USED AS ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-01-14 WO disclosed