SCHEMBL7948473

SCHEMBL7948473

O=C(NSc1ccc(NC(=O)c2ccco2)cc1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
BLM P54132 1/20 0.59
ALDH1A1 P00352 2/20 0.58
KCNK3 O14649 2/20 0.58
KCNK9 Q9NPC2 2/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
SIRT6 Q8N6T7 3/20 0.57
SIRT3 Q9NTG7 1/20 0.57
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
HPSE Q9Y251 1/20 0.54
RECQL P46063 1/20 0.53
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
GFER P55789 1/20 0.52

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
SCHEMBL18906020 0.85 RAB9A (0.79) RAB9ABLMALDH1A1KCNK3KCNK9
SCHEMBL6816359 0.82 ALDH1A1 (0.67) RAB9ABLMALDH1A1KCNK3KCNK9
SCHEMBL31401954 0.75 RAB9A (0.87) RAB9ABLMALDH1A1KCNK3KCNK9
SCHEMBL15056399 0.75 RAB9A (0.75) RAB9ABLMALDH1A1LMNAMEN1
SCHEMBL8353423 0.74 LMNA (1.00) RAB9ABLMALDH1A1KCNK3KCNK9
SCHEMBL29029973 0.74 RAB9A (0.68) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL23011774 0.74 ALDH1A1 (0.84) RAB9ABLMALDH1A1KCNK3KCNK9
SCHEMBL7828043 0.73 RAB9A (0.61) RAB9ABLMALDH1A1KCNK3KCNK9
SCHEMBL7828050 0.73 RAB9A (0.61) RAB9ABLMALDH1A1KCNK3KCNK9
SCHEMBL3647261 0.73 MAPK1 (0.76) RAB9ABLMALDH1A1KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed