SCHEMBL12828408

SCHEMBL12828408

C=C(C)C(=O)Nc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
PKM P14618 1/20 0.67
LMNA P02545 3/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
NAMPT P43490 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 1/20 0.53
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL9262080 0.86 RAB9A (0.71) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL30504811 0.85 RAB9A (0.89) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL15293581 0.83 RAB9A (0.58) RAB9ANPC1PKMALDH1A1HTT
SCHEMBL10031567 0.82 MEN1 (0.58) LMNAALDH1A1HTTNAMPTMEN1
SCHEMBL12447388 0.82 LMNA (0.57) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL29602550 0.82 RAB9A (0.65) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL49506 0.82 RAB9A (0.65) RAB9ANPC1PKMLMNAHIF1A
Hydrochloric Acid SCHEMBL5095381 0.80 RAB9A (0.62) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL6630167 0.80 RAB9A (0.79) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL1504253 0.79 RAB9A (0.67) RAB9ANPC1PKMLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-RE41150-E1 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one EISAI CORPORATION OF NORTH AMERICA (US) 2010-02-23 US disclosed
EP-2080616-A1 Planographic printing plate precursor Fujifilm Corporation (JP) 2009-07-22 EP disclosed