SCHEMBL11219489

SCHEMBL11219489

[CH2]CNC(=O)c1cc2ccccc2nc1OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HCRTR1 O43613 2/20 0.42
TLR8 Q9NR97 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
APOBEC3A P31941 1/20 0.41
RAB9A P51151 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
SCHEMBL11218527 0.87 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL4228872 0.81 KDM4E (0.61) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL2913722 0.80 ALDH1A1 (0.57) ALDH1A1GAAKDM4ESMN1; SMN2TLR8
SCHEMBL11219578 0.77 CNR1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL6605124 0.74 SMN1; SMN2 (0.48) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL11151420 0.72 HCRTR1 (0.77) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL6608984 0.72 HTT (0.58) ALDH1A1SMN1; SMN2MAPTHTTMEN1
SCHEMBL15563826 0.71 ALDH1A1 (0.52) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL18641090 0.71 ALDH1A1 (0.65) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL11226584 0.71 RXFP1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTHSD17B10

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
EP-0089597-A2 Sulphonyl ureas, process for their preparation, pharmaceutical compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-28 EP disclosed