SCHEMBL10662995

SCHEMBL10662995

NC(N)=Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
ALDH1A1 P00352 1/20 0.69
POLB P06746 1/20 0.69
HTT P42858 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
MMP12 P39900 1/20 0.64
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ATP4A P20648 15/20 0.54
ATP4B P51164 15/20 0.54
GFER P55789 1/20 0.50
PARP1 P09874 1/20 0.48

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
SCHEMBL5068409 0.82 MAPT (1.00) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL21799330 0.81 MAPT (0.97) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL826898 0.79 MAPT (0.56) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL7314031 0.78 MAPT (1.00) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL6201294 0.78 MAPT (0.66) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL10663004 0.78 MAPT (0.66) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL8525270 0.75 SMN1; SMN2 (0.70) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL18122053 0.75 MAPT (0.85) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL12297334 0.75 MAPT (0.61) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8524166 0.74 MAPT (0.70) MAPTALDH1A1POLBHTTSMN1; 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
US-4721721-A 6-(4-thiazole) compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1988-01-26 US claimed
US-4721721-A 6-(4-thiazole) compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1988-01-26 US disclosed