SCHEMBL7556161

SCHEMBL7556161

CN(C)CCCNC(=O)c1cccc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
KCNA3 P22001 1/20 0.54
SIGMAR1 Q99720 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HDAC3 O15379 1/20 0.54
GAA P10253 1/20 0.53
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MCHR1 Q99705 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
GPR139 Q6DWJ6 1/20 0.50
SCN9A Q15858 1/20 0.50
FYN P06241 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48

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
SCHEMBL21610884 0.87 NAMPT (0.56) NAMPTKCNA3SIGMAR1ALDH1A1HDAC3
SCHEMBL19877284 0.87 HPGD (0.52) NAMPTSIGMAR1ALDH1A1HPGDKDM4E
SCHEMBL5540070 0.86 NAMPT (0.73) NAMPTKCNA3ALDH1A1HDAC3GAA
SCHEMBL6359399 0.85 SMN1; SMN2 (0.72) NAMPTKCNA3ALDH1A1HDAC3GAA
SCHEMBL15382631 0.83 SIGMAR1 (0.69) NAMPTSIGMAR1ALDH1A1HPGDKDM4E
SCHEMBL17623594 0.82 HDAC3 (0.63) NAMPTKCNA3ALDH1A1HDAC3GAA
SCHEMBL19133524 0.82 NAMPT (0.61) NAMPTKCNA3SIGMAR1ALDH1A1HDAC3
SCHEMBL12988864 0.82 L3MBTL1 (0.63) NAMPTALDH1A1HDAC3GAAMCHR1
SCHEMBL18773534 0.81 SMN1; SMN2 (0.60) NAMPTSIGMAR1ALDH1A1HPGDKDM4E
SCHEMBL842218 0.81 NPC1 (0.59) SIGMAR1ALDH1A1HDAC3GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303967-B1 IMPROVED, RED COLOUR FILTER COMPOSITION BASF SE (DE) 2013-11-13 EP disclosed
EP-0877058-B1 Diketopyrrolopyrrol compositions CIBA SC HOLDING AG (CH) 2002-07-03 EP disclosed
US-6066202-A IMPROVED GLOSS, RHEOLOGY AND STORAGE STABILITY CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-23 US disclosed
EP-0877058-A2 Diketopyrrolopyrrol compositions Ciba SC Holding AG (CH) 1998-11-11 EP disclosed