SCHEMBL13153641

SCHEMBL13153641

N=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.54
S1PR4 O95977 3/20 0.54
SLC6A9 P48067 8/20 0.52
SLC6A5 Q9Y345 6/20 0.52
CNR1 P21554 2/20 0.49
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGDS O60760 1/20 0.45
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR2 O95136 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL13153747 0.82 LMNA (0.56) S1PR3SLC6A9SLC6A5HPGDSS1PR1
SCHEMBL28466269 0.79 HPGDS (0.72) S1PR3S1PR4SLC6A9SLC6A5CNR1
SCHEMBL27282532 0.79 CNR1 (0.53) SLC6A9SLC6A5CNR1CACNA2D1CACNA1B
SCHEMBL11551169 0.75 CNR1 (0.53) SLC6A9SLC6A5CNR1CACNA2D1CACNA1B
SCHEMBL9023826 0.75 HPGDS (0.41) S1PR3SLC6A9SLC6A5GAAHPGDS
SCHEMBL17663900 0.75 S1PR3 (0.60) S1PR3S1PR4SLC6A9SLC6A5KDM4E
SCHEMBL30530178 0.74 SLC6A9 (0.71) S1PR3S1PR4SLC6A9SLC6A5CNR1
SCHEMBL304995 0.73 CNR1 (0.48) S1PR3S1PR4SLC6A9SLC6A5CNR1
Iodide SCHEMBL11335601 0.73 CNR1 (0.51) SLC6A9SLC6A5CNR1CACNA2D1CACNA1B
SCHEMBL27396355 0.73 ALDH1A1 (0.50) S1PR3S1PR4KDM4EGAAS1PR1

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
WO-2010123150-A1 2-ARYL IMIDAZOLINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-28 WO disclosed