SCHEMBL9303890

SCHEMBL9303890

CCC/C=C/COC(=O)[C@@H](C)OC(=O)c1ccc(N2CCN(c3ccc(C(=O)O[C@H](C)C(=O)OC/C=C/CCC)cn3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HRH3 Q9Y5N1 6/20 0.45
OGA O60502 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
P2RY12 Q9H244 1/20 0.44
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRBN Q96SW2 3/20 0.37
AOC3 Q16853 1/20 0.36
DDB1 Q16531 1/20 0.36

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
SCHEMBL9304119 1.00 KMT2A (0.47) KMT2AMEN1HRH3OGANPC1
SCHEMBL9303914 0.96 KMT2A (0.46) KMT2AMEN1HRH3OGANPC1
SCHEMBL9304132 0.96 KMT2A (0.46) KMT2AMEN1HRH3OGANPC1
SCHEMBL9303898 0.96 KMT2A (0.46) KMT2AMEN1HRH3OGANPC1
SCHEMBL9304145 0.96 KMT2A (0.46) KMT2AMEN1HRH3OGANPC1
SCHEMBL9305171 0.92 KMT2A (0.48) KMT2AMEN1HRH3OGANPC1
SCHEMBL9303849 0.88 KMT2A (0.49) KMT2AMEN1HRH3OGANPC1
SCHEMBL9303243 0.88 KMT2A (0.49) KMT2AMEN1HRH3OGANPC1
SCHEMBL9305194 0.88 KMT2A (0.48) KMT2AMEN1HRH3OGANPC1
SCHEMBL9305183 0.88 KMT2A (0.48) KMT2AMEN1HRH3OGANPC1

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-5356559-A Optically active piperazinyl derivatives as liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-10-18 US disclosed