SCHEMBL7535593

SCHEMBL7535593

N#CC(c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 1/20 0.33
ATM Q13315 1/20 0.33
KCNA3 P22001 3/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
CYP2D6 P10635 2/20 0.33
NR3C2 P08235 2/20 0.33
SGMS2 Q8NHU3 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL11279906 0.79 KCNN4 (0.52) KCNN4MEN1KMT2AKIF11CYP2D6
SCHEMBL1444134 0.78 ATM (0.45) KCNN4ATMKCNA3DRD2DRD4
SCHEMBL23112981 0.74 KCNN4 (0.43) KCNN4KIF11NR3C2ALDH1A1ALOX15
SCHEMBL18035826 0.74 ALDH1A1 (0.44) KCNN4MEN1KMT2AKIF11RAB9A
SCHEMBL874147 0.74 KCNN4 (0.43) KCNN4KIF11NR3C2CYP3A4ALDH1A1
Biphenyl SCHEMBL7519251 0.71 KCNN4 (0.44) KCNN4KIF11CYP2D6CYP3A4ALDH1A1
SCHEMBL1443801 0.71 KCNN4 (0.47) KCNN4MEN1KMT2AKIF11ATM
SCHEMBL2390778 0.71 KIF11 (0.44) MEN1KMT2AKIF11ATMOPRM1
SCHEMBL17817924 0.71 TSHR (0.43) KCNN4MEN1KMT2AKIF11ATM
SCHEMBL2422356 0.71 ESR2 (0.56) MEN1KMT2AKIF11CYP3A4ALDH1A1

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
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