SCHEMBL10661877

SCHEMBL10661877

Cc1sc(N)nc1-c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 4/20 0.54
▸ CACNG8 Q8WXS5 2/20 0.54
▸ PDE3B Q13370 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ CD274 Q9NZQ7 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ MMP12 P39900 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
Bromide SCHEMBL7314028 0.99 GRIA1 (0.53) GRIA1CACNG8PDE3BPDE3ACD274
Hydrochloric Acid SCHEMBL10662967 0.99 GRIA1 (0.53) GRIA1CACNG8PDE3BPDE3ACD274
SCHEMBL10665330 0.93 GRIA1 (0.48) GRIA1CACNG8PDE3BPDE3ACD274
SCHEMBL10664070 0.89 MAPT (0.60) GRIA1CACNG8PDE3BPDE3ACD274
SCHEMBL3676863 0.85 PGR (0.51) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL3610826 0.79 GRIA1 (0.46) GRIA1CACNG8PDE3BPDE3AALDH1A1
SCHEMBL1459822 0.77 GRIA1 (0.48) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL10662326 0.75 MAPT (0.62) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL10659225 0.75 MAPT (0.78) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL20924253 0.74 PDE3B (0.57) GRIA1CACNG8PDE3BPDE3AMAPT

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
US-4721721-A 6-(4-thiazole) compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1988-01-26 — — US disclosed
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