SCHEMBL6220076

SCHEMBL6220076

O=C(NCCc1nnn[nH]1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ESRRG P62508 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
MLYCD O95822 1/20 0.46
EPHX2 P34913 1/20 0.45
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45

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
SCHEMBL2660078 0.85 GAA (0.49) KMT2AHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL18839657 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL5333284 0.77 SMN1; SMN2 (0.55) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL14021535 0.76 CYSLTR1 (0.56)
SCHEMBL13373342 0.75 L3MBTL1 (0.51) RAB9ANPC1KMT2AHDAC6LMNA
SCHEMBL17383408 0.73 GAA (0.58) RAB9ANPC1TSHRRECQLKMT2A
SCHEMBL11101654 0.73 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2LMNAALDH1A1GAA
SCHEMBL2229796 0.73 L3MBTL1 (0.47) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3192014 0.73 LMNA (0.77) RAB9ANPC1RECQLKMT2AHDAC2
SCHEMBL751214 0.72 HDAC2 (0.80) RAB9ANPC1KMT2AMEN1ESRRG

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
EP-1492787-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003087088-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-10-23 WO disclosed