SCHEMBL7431069

SCHEMBL7431069

CC(=O)CC(=O)OC(C)NC(=O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ECE1 P42892 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
EPHX2 P34913 1/20 0.46
HIF1A Q16665 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5354676 0.86 KMT2A (0.53) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL27967479 0.81 ALDH1A1 (0.49) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL5358945 0.81 LMNA (0.57) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL5365608 0.80 KMT2A (0.61) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL1106964 0.80 HDAC1 (0.62) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL13274593 0.77 SREBF2 (0.62) LMNAKMT2AMEN1CYP3A4HDAC1
SCHEMBL13274592 0.77 SREBF2 (0.62) LMNAKMT2AMEN1CYP3A4HDAC1
SCHEMBL13281520 0.77 SREBF2 (0.62) LMNAKMT2AMEN1CYP3A4HDAC1
SCHEMBL10894691 0.76 LMNA (0.65) LMNAKMT2AMEN1CYP3A4THRB
SCHEMBL6860757 0.76 HDAC1 (0.57) LMNAKMT2AMEN1CYP1A2CYP3A4

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
EP-0370821-A2 1,4-dihydropyridine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-05-30 EP disclosed