SCHEMBL3458568

SCHEMBL3458568

COc1cc(CNCCOC(N)=O)ccc1OCc1ccccc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.64
RAB9A P51151 3/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
BCHE P06276 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL3458724 0.89 KMT2A (0.67) HTTRAB9AGAAMAPTKMT2A
SCHEMBL3457501 0.84 HTT (0.65) HTTRAB9AGAAALDH1A1MAPT
SCHEMBL28904929 0.77 CHRM2 (0.53) HTTRAB9AGAAALDH1A1KMT2A
SCHEMBL7946340 0.75 RAB9A (0.58) HTTRAB9AGAAALDH1A1MAPT
SCHEMBL3411267 0.75 RAB9A (0.60) HTTRAB9AGAAALDH1A1MAPT
SCHEMBL3468642 0.74 HTT (0.60) HTTRAB9AGAAALDH1A1MAPT
SCHEMBL3458474 0.74 KMT2A (0.70) HTTRAB9AGAAALDH1A1MAPT
SCHEMBL5113589 0.73 BCHE (0.69) HTTRAB9AALDH1A1KMT2ALMNA
SCHEMBL3459033 0.72 RAB9A (0.58) HTTRAB9AGAAALDH1A1MAPT
SCHEMBL5098443 0.72 KMT2A (0.70) HTTRAB9AGAAALDH1A1MAPT

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-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed