SCHEMBL19357185

SCHEMBL19357185

O=C(C(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.74
MAOB P27338 1/20 0.68
KMT2A Q03164 3/20 0.60
PHGDH O43175 1/20 0.59
NPSR1 Q6W5P4 2/20 0.58
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 7/20 0.56
CACNA2D1 P54289 2/20 0.56
CACNA1B Q00975 2/20 0.56
CACNB1 Q02641 2/20 0.56
CACNA1C Q13936 2/20 0.56
MEN1 O00255 1/20 0.56
CACNA1H O95180 1/20 0.56
LMNA P02545 1/20 0.56
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL19357243 0.90 MGLL (0.70) MGLLMAOBKMT2APHGDHNPSR1
SCHEMBL19357074 0.86 MGLL (1.00) MGLLMAOBKMT2APHGDHMAPT
SCHEMBL19357083 0.85 PHGDH (0.77) MGLLPHGDHHPGDLMNA
SCHEMBL16227143 0.82 ALDH1A1 (0.73) MAOBKMT2ANPSR1MAPTKDM4E
SCHEMBL31350986 0.81 MAOB (1.00) MGLLMAOBKMT2ANPSR1MAPT
SCHEMBL19380447 0.79 PHGDH (0.72) KMT2APHGDHHPGDALDH1A1LMNA
SCHEMBL27545187 0.79 KMT2A (0.74) MGLLMAOBKMT2ANPSR1MAPT
SCHEMBL2153249 0.78 TDP1 (0.67) MAOBKMT2AMAPTALDH1A1LMNA
SCHEMBL19380443 0.78 PHGDH (0.66) MGLLKMT2APHGDHMAPTKDM4E
SCHEMBL19380449 0.77 PHGDH (0.70) KMT2APHGDHHPGDALDH1A1MEN1

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-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 WO claimed
WO-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 WO disclosed
WO-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 WO disclosed