SCHEMBL7981280

SCHEMBL7981280

CCOC(=O)CN(Cc1ccccc1)C(=O)C(=O)C1CNc2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSPO P30536 1/20 0.33

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
SCHEMBL7969242 0.88 TP53 (0.41) PIN1ALDH1A1TP53KMT2AMAPT
SCHEMBL7980506 0.85 GAA (0.42) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL7981085 0.83 CA12 (0.34) KMT2AMEN1LMNA
SCHEMBL7969219 0.83 KMT2A (0.34) TP53OXTRAVPR1APKMKMT2A
SCHEMBL13896765 0.74 MEN1 (0.41) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL7992900 0.73 PTGIR (0.33) HTT
SCHEMBL7981921 0.73 TSHR (0.40) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL7944573 0.72 TDP1 (0.37) ALDH1A1TP53MAPTL3MBTL1SMN1; SMN2
SCHEMBL7981155 0.71 NR3C2 (0.33)
SCHEMBL7980536 0.70 PTGDR2 (0.35) OXTRAVPR1APKMSMN1; 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
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed