SCHEMBL11192551

SCHEMBL11192551

O=C(O)c1ccc(NC(=O)C2CCCCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.54
LMNA P02545 1/20 0.51
SCN3A Q9NY46 3/20 0.50
SCN9A Q15858 2/20 0.50
PSMB8 P28062 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
DHODH Q02127 2/20 0.47
AAK1 Q2M2I8 1/20 0.46
CYP2C19 P33261 1/20 0.44
PFKFB2 O60825 1/20 0.43
PFKFB1 P16118 1/20 0.43
PFKFB3 Q16875 1/20 0.43
PTPN1 P18031 1/20 0.43
HPGD P15428 1/20 0.43
KHK P50053 1/20 0.43
SCN5A Q14524 1/20 0.43
TERT O14746 1/20 0.43

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
SCHEMBL11190675 0.95 SCN3A (0.54) ULK1LMNASCN3ASCN9APSMB8
SCHEMBL11190677 0.95 SCN3A (0.54) ULK1LMNASCN3ASCN9APSMB8
SCHEMBL38659893 0.95 PTPN1 (0.52) ULK1LMNASCN3ASCN9APSMB8
SCHEMBL31188291 0.92 SCN3A (0.57) ULK1LMNASCN3ASCN9APSMB8
SCHEMBL20418560 0.91 LMNA (0.56) ULK1LMNASCN3ASCN9APSMB8
SCHEMBL516052 0.86 HPGD (0.58) ULK1LMNASCN3ASCN9APSMB8
SCHEMBL13708499 0.86 HPGD (0.58) ULK1LMNASCN3ASCN9APSMB8
Hydrochloric Acid SCHEMBL3266984 0.85 HPGD (0.57) ULK1LMNASCN3ASCN9APSMB8
SCHEMBL2707503 0.84 SCN3A (0.54) ULK1SCN3ASCN9APSMB8
SCHEMBL15652522 0.84 ULK1 (0.62) ULK1SCN3ASCN9APSMB8DHODH

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
EP-0078152-A1 Salts of sulfodehydroabietic acid and treatment of gastro-intestinal diseases Tanabe Seiyaku Co., Ltd. (JP) 1983-05-04 EP claimed
EP-0078152-A1 Salts of sulfodehydroabietic acid and treatment of gastro-intestinal diseases Tanabe Seiyaku Co., Ltd. (JP) 1983-05-04 EP disclosed
EP-0078152-A1 Salts of sulfodehydroabietic acid and treatment of gastro-intestinal diseases Tanabe Seiyaku Co., Ltd. (JP) 1983-05-04 EP disclosed