SCHEMBL6550745

SCHEMBL6550745

OC(CON=C(Cl)C=Cc1cccnc1)CN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
ABCB1 P08183 4/20 0.39
HSF1 Q00613 1/20 0.39

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
SCHEMBL6550742 1.00 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1GAAMAPK1POLB
Fumaric Acid SCHEMBL6548767 0.95 MEN1 (0.41) SMN1; SMN2L3MBTL1MAPK1POLBADRB2
SCHEMBL6549259 0.91 HSF1 (0.46) SMN1; SMN2MAPK1NPC1RAB9AABCB1
SCHEMBL6549255 0.91 HSF1 (0.46) SMN1; SMN2MAPK1NPC1RAB9AABCB1
SCHEMBL6549086 0.88 POLB (0.51) SMN1; SMN2L3MBTL1GAAMAPK1POLB
SCHEMBL6549091 0.88 POLB (0.51) SMN1; SMN2L3MBTL1GAAMAPK1POLB
SCHEMBL6548761 0.83 MEN1 (0.46) SMN1; SMN2L3MBTL1GAAMAPK1NPC1
SCHEMBL7892132 0.81 HSF1 (0.47) SMN1; SMN2L3MBTL1GAAMAPK1POLB
SCHEMBL7892135 0.81 HSF1 (0.47) SMN1; SMN2L3MBTL1GAAMAPK1POLB
SCHEMBL6548872 0.78 ABCB1 (0.55) SMN1; SMN2MAPK1RAB9AABCB1HSF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115697-B1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS GENE KUTATO KFT N (HU) 2004-02-04 EP disclosed
US-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US disclosed
EP-1115697-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutato KFT. (HU) 2001-07-18 EP disclosed
WO-2000014054-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutató Kft. (HU) 2000-03-16 WO disclosed