Ametryne

Ametryne

SCHEMBL9700579

CCNc1nc(NC(C)C)nc(SC)n1.CCNc1nc(NC(C)C)nc(SC)n1.Nc1nc[nH]n1.Nc1nc[nH]n1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.39
CREBBP Q92793 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
Ametryne SCHEMBL8541226 1.00 HTT (0.47) HTTCYP1A2CYP3A4CYP2D6MAPT
Ametryne SCHEMBL8541067 0.82 POLB (0.54) HTTCYP1A2CYP3A4CYP2D6MAPT
Ametryne SCHEMBL65196 0.82 POLB (0.54) HTTCYP1A2CYP3A4CYP2D6MAPT
Prometryn SCHEMBL7945620 0.82 POLB (0.54) HTTCYP1A2CYP3A4CYP2D6MAPT
Ametryne SCHEMBL29368218 0.82 POLB (0.54) HTTCYP1A2CYP3A4CYP2D6MAPT
Prometryn SCHEMBL11160002 0.82 POLB (0.54) HTTCYP1A2CYP3A4CYP2D6MAPT
Ametryne SCHEMBL11801379 0.76 POLB (0.49) HTTCYP1A2CYP3A4CYP2D6MAPT
Dimethametryne SCHEMBL6364817 0.75 HTT (0.49) HTTCYP1A2CYP3A4CYP2D6MAPT
Ametryne SCHEMBL31093673 0.75 GAA (0.58) HTTCYP1A2CYP3A4CYP2D6MAPT
Ametryne SCHEMBL8812043 0.75 GAA (0.58) HTTCYP1A2CYP3A4CYP2D6MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992004319-A1 HERBICIDAL PYRROLESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-19 WO disclosed