SCHEMBL6819797

SCHEMBL6819797

[CH2]CNC(=O)c1cc(OC)c2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
BRD4 O60885 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL18288014 0.79 HPGD (0.53) MAPTCYP3A4HPGDKMT2ANPC1
SCHEMBL31493128 0.79 HPGD (0.53) MAPTCYP3A4HPGDKMT2ANPC1
SCHEMBL18288064 0.77 ALOX15 (0.55) CYP1A2PKMCYP2C19HPGDKMT2A
SCHEMBL7952955 0.77 KMT2A (0.69) SMN1; SMN2KMT2AMEN1RXFP1BRD4
SCHEMBL7959710 0.76 NR1H4 (0.62) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL31281188 0.76 TSHR (0.49) MAPTCYP1A2CYP3A4CYP2C19HPGD
SCHEMBL535683 0.76 TSHR (0.49) MAPTCYP1A2CYP3A4CYP2C19HPGD
SCHEMBL9117716 0.76 ALOX15 (0.46) MAPTCYP1A2CYP3A4CYP2C19HPGD
Hydrochloric Acid SCHEMBL22445134 0.75 TSHR (0.47) MAPTCYP1A2CYP3A4CYP2C19HPGD
SCHEMBL18288083 0.75 HPGD (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C19

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-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO claimed