SCHEMBL9970686

SCHEMBL9970686

Cc1nc(NC(C)C)nc(NC(C)C)n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
HTT P42858 3/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 2/20 0.54
F2 P00734 1/20 0.54
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
KCNH3 Q9ULD8 3/20 0.48
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL15599529 0.94 GAA (0.54) GAATDP1HTTMAPK1LMNA
SCHEMBL15131652 0.91 GAA (0.52) GAATDP1HTTMAPK1LMNA
SCHEMBL8041736 0.88 GAA (0.74) GAATDP1HTTMAPK1LMNA
SCHEMBL13208246 0.85 GAA (0.58) GAATDP1HTTMAPK1LMNA
SCHEMBL11451349 0.84 GAA (0.45) GAATDP1HTTMAPK1LMNA
SCHEMBL20814490 0.84 GAA (0.75) GAATDP1HTTMAPK1LMNA
SCHEMBL24059309 0.80 MAPK1 (0.50) GAATDP1HTTMAPK1LMNA
SCHEMBL20117984 0.78 GAA (0.61) GAATDP1HTTMAPK1LMNA
SCHEMBL29368367 0.78 GAA (0.61) GAATDP1HTTMAPK1LMNA
SCHEMBL14869317 0.76 KCNH3 (0.75) GAATDP1KMT2AMEN1KCNH3

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
WO-2012083190-A1 INSECT ODORANT RECEPTOR ANTAGONISTS THE ROCKEFELLER UNIVERSITY (US) 2012-06-21 WO disclosed