SCHEMBL5579817

SCHEMBL5579817

CCc1cccc(CN(C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)C(=O)Sc2nncn2-c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSPO P30536 1/20 0.34
BACE1 P56817 3/20 0.33
CTSD P07339 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL5579450 0.91 KMT2A (0.45) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL5125015 0.91 KMT2A (0.45) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL5126633 0.80 MEN1 (0.43) KMT2AALDH1A1LMNAPOLBBACE1
SCHEMBL5579820 0.76 BACE1 (0.41) KMT2ATSPOBACE1CTSDMEN1
SCHEMBL5579580 0.75 MLLT1 (0.40) BACE1CTSDBACE2
SCHEMBL5116447 0.75 BACE1 (0.35) TSPOBACE1CTSD
SCHEMBL5131817 0.75 BACE1 (0.34) BACE1CTSD
SCHEMBL5130120 0.74 BACE1 (0.36) ALDH1A1LMNATSPOBACE1CTSD
SCHEMBL5126250 0.74 NPC1 (0.52) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL5131017 0.73 BACE1 (0.39) KMT2AALDH1A1BACE1CTSDMEN1

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
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 US claimed