SCHEMBL18643196

SCHEMBL18643196

CC/C=C(/CCNC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 4/20 0.55
POLB P06746 4/20 0.55
MEN1 O00255 2/20 0.55
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.50
GRK2 P25098 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
USP2 O75604 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.49
PPP1CA P62136 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
SCHEMBL18643362 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL18643079 0.78 KMT2A (0.51) ALDH1A1KMT2APOLBMEN1L3MBTL1
SCHEMBL18643361 0.74 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL892155 0.71 USP2 (0.56) ALDH1A1KMT2APOLBMEN1L3MBTL1
SCHEMBL31011067 0.70 KMT2A (0.59) ALDH1A1KMT2APOLBMEN1L3MBTL1
SCHEMBL14890310 0.69 POLB (0.58) ALDH1A1KMT2APOLBMEN1SMN1; SMN2
SCHEMBL7857154 0.69 GFER (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL20116232 0.69 KMT2A (0.70) ALDH1A1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL7860168 0.68 KMT2A (0.50) ALDH1A1KMT2APOLBMEN1L3MBTL1
SCHEMBL18642822 0.68 ALDH1A1 (0.54) ALDH1A1KMT2APOLBSMN1; SMN2L3MBTL1

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-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed