SCHEMBL2808581

SCHEMBL2808581

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O)N1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.51
TDP1 Q9NUW8 5/20 0.49
DUT P33316 4/20 0.47
MEN1 O00255 1/20 0.46
ABL1 P00519 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
IDE P14735 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
RIN1 Q13671 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPSE Q9Y251 1/20 0.42
HLCS P50747 1/20 0.40

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
SCHEMBL38652488 0.87 F2 (0.64) F2TDP1
Biotin SCHEMBL523980 0.85 TDP1 (0.51) F2TDP1DUTMEN1ABL1
Biotin SCHEMBL381578 0.85 DUT (0.52) F2TDP1DUT
SCHEMBL6223080 0.81 DUT (0.55) DUT
SCHEMBL523981 0.81 F2 (0.47) F2DUT
SCHEMBL28085620 0.79 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL23982127 0.79 HLCS (0.61) F2HLCS
SCHEMBL6041222 0.78 DUT (0.58) DUTLMNA
SCHEMBL18670762 0.77 DUT (0.57) DUT
Biotin SCHEMBL4304275 0.76 TDP1 (0.44) F2TDP1DUTMEN1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102283836-B Application of sorafenib in treatment of early brain injury (EBI) after subarachnoid hemorrhage (SAH) FIRST AFFILIATED HOSPITAL SOOCHOW UNIV 2013-01-09 CN disclosed
CN-102283836-A Application of sorafenib in treatment of early brain injury (EBI) after subarachnoid hemorrhage (SAH) 2011-12-21 CN disclosed
US-20100240674-A1 USE OF COMPOUNDS DERIVED FROM BENZAMIDINE METHANESULPHONATE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, FOR EXAMPLE IMATINIB MESYLATE, FOR THE PREPARATION O F A DRUG FOR THE TREATMENT OF NEURODEGENERATIVE NIEMANN-PICK C DISEASE (NPC) PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE (CL) 2010-09-23 US disclosed