SCHEMBL11512204

SCHEMBL11512204

CCCCCCCCCCCCCCCCCc1nnc(S)n1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GSK3B P49841 1/20 0.42
▸ CETP P11597 1/20 0.40
▸ PPARA Q07869 1/20 0.37
▸ TRPV1 Q8NER1 6/20 0.37
▸ VCP P55072 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TBXAS1 P24557 1/20 0.35
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL2984817 0.85 CETP (0.55) CETPVCPLMNAGAAMAPK1
SCHEMBL564057 0.85 CETP (0.55) CETPVCPLMNAGAAMAPK1
SCHEMBL3125038 0.85 CETP (0.55) CETPVCPLMNAGAAMAPK1
SCHEMBL17153858 0.85 CETP (0.55) CETPVCPLMNAGAAMAPK1
SCHEMBL2985804 0.83 CETP (0.52) L3MBTL1GSK3BCETPVCPLMNA
Methyl Alcohol SCHEMBL4850107 0.82 CETP (0.52) L3MBTL1CETPVCPLMNAGAA
SCHEMBL13401051 0.79 CETP (0.47) L3MBTL1CETPVCPLMNAPOLB
SCHEMBL11510597 0.78 CETP (0.48) CETPVCPLMNAGAAPI4KA
SCHEMBL10012448 0.75 VCP (0.44) L3MBTL1CETPVCPGAAPI4KA
SCHEMBL993820 0.74 CETP (0.74) TDP1L3MBTL1CETPLMNAPOLB

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-4178253-A 1,2,4-TRIAZOLE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1979-12-11 — — US disclosed
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