SCHEMBL2018182

SCHEMBL2018182

COCCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 2/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RECQL P46063 1/20 0.45
TSHR P16473 1/20 0.45
CASR P41180 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
SCHEMBL2016076 0.90 MEN1 (0.50) MEN1KMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL2018696 0.90 MEN1 (0.65) MEN1KMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL2015349 0.88 HTT (0.57) MEN1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL2014088 0.86 LMNA (0.65) MEN1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL2016412 0.85 TP53 (0.56) MEN1KMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL12635944 0.82 SCNN1A (0.39) ALDH1A1SMN1; SMN2LMNAHPGDRAB9A
Iodide SCHEMBL2015549 0.81 SCNN1A (0.39) ALDH1A1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL2018051 0.81 TP53 (0.45) MEN1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL12636626 0.77 L3MBTL1 (0.55) MEN1KMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL2051754 0.77 MEN1 (0.64) MEN1KMT2ATP53ALDH1A1SMN1; SMN2

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-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed