SCHEMBL6428144

SCHEMBL6428144

CC(C)OCCCNC(=O)c1ccc(NO)cc1.CCOCCCNC(=O)c1ccc(NO)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
HTT P42858 2/20 0.65
HPGD P15428 3/20 0.62
ALDH1A1 P00352 2/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 3/20 0.58
PAX8 Q06710 1/20 0.56
MEN1 O00255 2/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
NAMPT P43490 4/20 0.54
MAPT P10636 1/20 0.47

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
SCHEMBL6572187 0.81 ALDH1A1 (0.81) SMN1; SMN2HTTHPGDALDH1A1RAB9A
SCHEMBL4339089 0.78 PAX8 (0.78) SMN1; SMN2HTTHPGDALDH1A1RAB9A
SCHEMBL3455416 0.78 HPGD (0.76) SMN1; SMN2HTTHPGDALDH1A1RAB9A
SCHEMBL12301885 0.78 NPC1 (0.76) SMN1; SMN2HTTHPGDALDH1A1RAB9A
SCHEMBL12301886 0.78 ALDH1A1 (0.76) SMN1; SMN2HTTALDH1A1RAB9ANPC1
SCHEMBL5183187 0.77 HPGD (0.74) SMN1; SMN2HTTHPGDALDH1A1RAB9A
SCHEMBL26646791 0.77 HPGD (0.73) SMN1; SMN2HTTHPGDALDH1A1RAB9A
SCHEMBL12882984 0.76 TSHR (1.00) SMN1; SMN2HTTALDH1A1L3MBTL1TSHR
SCHEMBL13762071 0.76 ALDH1A1 (0.72) SMN1; SMN2HTTHPGDALDH1A1RAB9A
SCHEMBL18698019 0.75 HPGD (0.70) SMN1; SMN2HTTHPGDALDH1A1RAB9A

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-1175155-A4 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CT (US) 2005-10-19 EP disclosed
EP-1175155-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2002-01-30 EP disclosed
WO-2000062626-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2000-10-26 WO disclosed