SCHEMBL19987424

SCHEMBL19987424

N=C(C(=O)N1CCCCC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
CYP2C9 P11712 1/20 0.57
ALDH1A1 P00352 4/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5564719 0.81 HPGD (0.66) HPGDKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL12489727 0.79 HPGD (0.62) HPGDKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL14453332 0.78 HPGD (0.61) HPGDKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL19936404 0.78 HPGD (0.52) HPGDKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL243236 0.76 HPGD (1.00) HPGDALDH1A1USP2LMNAMAPK1
SCHEMBL1927946 0.76 HPGD (1.00) HPGDALDH1A1USP2LMNAMAPK1
SCHEMBL8919062 0.76 HPGD (1.00) HPGDALDH1A1USP2LMNAMAPK1
SCHEMBL27929296 0.76 HPGD (1.00) HPGDALDH1A1USP2LMNAMAPK1
SCHEMBL436090 0.76 HPGD (1.00) HPGDALDH1A1USP2LMNAMAPK1
SCHEMBL5177018 0.76 HPGD (0.58) HPGDKMT2AMEN1CYP2C9ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018050546-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC MATERIAL Université de Liège (BE) 2018-03-22 WO disclosed
EP-3296292-A1 METHOD FOR THE PREPARATION OF ALKYL PHENIDATES Université de Liège (BE) 2018-03-21 EP disclosed