SCHEMBL7966915

SCHEMBL7966915

S=C(NCCCCCCNC(=S)Nc1ccncc1)Nc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.54
HRH2 P25021 1/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
QPCT Q16769 4/20 0.51
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
EPHX1 P07099 1/20 0.50

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
SCHEMBL7900117 0.92 LMNA (0.59) KMT2ALMNASMN1; SMN2ALDH1A1QPCT
SCHEMBL8915063 0.88 CA9 (0.58) CA9HRH2KMT2ALMNAALDH1A1
SCHEMBL7901763 0.87 KMT2A (0.71) CA9HRH2KMT2ALMNASMN1; SMN2
SCHEMBL7904143 0.87 KMT2A (0.71) CA9HRH2KMT2ALMNASMN1; SMN2
SCHEMBL8915308 0.86 CA9 (0.60) CA9HRH2KMT2ALMNAALDH1A1
SCHEMBL11839390 0.85 CDK1 (0.63) CA9KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8917236 0.84 L3MBTL1 (0.56) CA9HRH2KMT2ALMNASMN1; SMN2
SCHEMBL8916496 0.84 L3MBTL1 (0.56) CA9HRH2KMT2ALMNASMN1; SMN2
SCHEMBL8916068 0.84 L3MBTL1 (0.56) CA9HRH2KMT2ALMNASMN1; SMN2
SCHEMBL8916892 0.84 L3MBTL1 (0.56) CA9HRH2KMT2ALMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300345-B1 AS ANTIPROLIFERATIVE AGENT Leo Pharmacuetical Products Ltd. A/S (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-10-09 US disclosed