SCHEMBL8948307

SCHEMBL8948307

O=C(O)C(c1cccnc1)N(CCO)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TBXAS1 P24557 1/20 0.43
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.39
KCNA5 P22460 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
EPHX2 P34913 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 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
SCHEMBL8948313 0.85 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2TBXAS1CFTRSLC6A2
SCHEMBL8948359 0.82 SRC (0.43) LMNAL3MBTL1CYP2C19
SCHEMBL753967 0.78 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2TBXAS1CFTRSLC6A2
SCHEMBL20213798 0.73 TBXAS1 (0.49) KDM4ESMN1; SMN2TBXAS1CFTRSLC6A2
SCHEMBL25287082 0.72 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2TBXAS1CFTRSLC6A2
SCHEMBL31038319 0.72 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2TBXAS1CFTRSLC6A2
SCHEMBL1533618 0.71 SRC (0.58) KDM4ESMN1; SMN2TBXAS1CFTRSLC6A2
SCHEMBL19463449 0.71 TBXAS1 (0.50) KDM4ESMN1; SMN2TBXAS1CFTRSLC6A2
SCHEMBL19463451 0.71 TBXAS1 (0.50) KDM4ESMN1; SMN2TBXAS1CFTRSLC6A2
SCHEMBL7324767 0.71 KCNA5 (0.40) KDM4ESMN1; SMN2TBXAS1CFTRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574050-A Hydroxyl ions as unique therapeutic agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-11-12 US claimed
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP claimed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US claimed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 WO claimed
US-5585391-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-12-17 US disclosed
US-5574050-A Hydroxyl ions as unique therapeutic agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-11-12 US disclosed
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP disclosed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 WO disclosed