SCHEMBL7535570

SCHEMBL7535570

CN(C)c1ccc(C(C#N)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
ALDH1A1 P00352 8/20 0.52
TSHR P16473 4/20 0.52
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 2/20 0.42
RELA Q04206 1/20 0.40
APP P05067 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2A13 Q16696 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1800563 0.92 RELA (0.48) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL7584721 0.82 SLC2A1 (0.42) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL20100524 0.82 SLC2A1 (0.43) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL10399133 0.82 SLC2A1 (0.43) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL5201650 0.81 KMT2A (0.50) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL5176916 0.80 KCNH2 (0.46) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL13353178 0.79 MMP8 (0.45) SLC2A1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL2394417 0.78 KCNH2 (0.41) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL22338366 0.77 SLC2A1 (0.45) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL11444405 0.76 SLC2A1 (0.44) SLC2A1ALDH1A1TSHRALOX15HSD17B10

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-6309797-B1 CONTAINING OXIDIZER; EXPOSURE TO ACTINIC RADIATION SPECTRA GROUP LIMITED, INC. 2001-10-30 US claimed
US-6479217-B1 PHOTOSENSITIVE RECORDING; APPLYING ACTINIC RADIATION; PHOTOPOLYMERIZATION SPECTRA GROUP LIMITED, INC. 2002-11-12 US disclosed
US-20020160310-A1 Method for producing selectively colorable printing plates SPECTRA GROUP LIMITED, INC. 2002-10-31 US disclosed
US-6309797-B1 CONTAINING OXIDIZER; EXPOSURE TO ACTINIC RADIATION SPECTRA GROUP LIMITED, INC. 2001-10-30 US disclosed
US-4918317-A MICROCAPSULES CONTAINING RADIOCHROMIC DYES THE MEAD CORPORATION (US) 1990-04-17 US disclosed