SCHEMBL7807356

SCHEMBL7807356

CCOC(=O)C(C)NCCCN

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CPB2 Q96IY4 2/20 0.44
METAP2 P50579 8/20 0.38
METAP1 P53582 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PAOX Q6QHF9 1/20 0.34

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
SCHEMBL8158861 0.93 CPB2 (0.49) CYP1A2CPB2METAP2METAP1SMN1; SMN2
SCHEMBL11379622 0.89 METAP2 (0.40) CYP1A2CPB2METAP2METAP1ALOX15
SCHEMBL2504506 0.88 SMN1; SMN2 (0.41) METAP2METAP1SMN1; SMN2ALOX15MGAM
Hydrochloric Acid SCHEMBL3139882 0.87 METAP2 (0.39) CYP1A2CPB2METAP2METAP1ALOX15
Hydrochloric Acid SCHEMBL3817674 0.87 METAP2 (0.39) CYP1A2CPB2METAP2METAP1ALOX15
SCHEMBL2504071 0.86 SMN1; SMN2 (0.41) CPB2METAP2METAP1SMN1; SMN2MGAM
SCHEMBL28250638 0.85 ACHE (0.42) METAP2METAP1SMN1; SMN2MGAMGAA
SCHEMBL5011365 0.85 ACHE (0.42) METAP2METAP1SMN1; SMN2MGAMGAA
SCHEMBL30466822 0.83 SMN1; SMN2 (0.39) METAP2METAP1SMN1; SMN2MGAMGAA
SCHEMBL29037357 0.83 SMN1; SMN2 (0.39) METAP2METAP1SMN1; SMN2MGAMGAA

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-1074545-A1 ISOQUINOLINESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Hidaka, Hiroyoshi (JP) 2001-02-07 EP disclosed