SCHEMBL1357124

SCHEMBL1357124

N#[N+]c1ccc(C(=O)c2ccccc2)cc1.N#[N+]c1ccc(C(=O)c2ccccc2)cc1.N#[N+]c1ccc(C(=O)c2ccccc2)cc1.N#[N+]c1ccc(C(=O)c2ccccc2)cc1.N#[N+]c1ccc(C(=O)c2ccccc2)cc1.N#[N+]c1ccc(C(=O)c2ccccc2)cc1.N#[N+]c1ccc(C(=O)c2ccccc2)cc1.N#[N+]c1ccc(C(=O)c2ccccc2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SRD5A2 P31213 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
NPC1 O15118 4/20 0.41
HPGD P15428 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL111501 0.89 ALDH1A1 (0.61) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL239500 0.86 ALDH1A1 (0.52) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL8598235 0.79 CA4 (0.32)
SCHEMBL1316120 0.79 CA4 (0.32)
SCHEMBL1114827 0.79 CA4 (0.32)
SCHEMBL19453210 0.76 ALDH1A1 (0.42) ALDH1A1SRD5A2L3MBTL1ATMMEN1
Benzophenone SCHEMBL5610902 0.74 ALDH1A1 (0.78) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL10048328 0.73 ATM (0.63) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL9066312 0.72 ALDH1A1 (0.93) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL314267 0.72 ALDH1A1 (0.93) ALDH1A1SRD5A2L3MBTL1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466072-B2 Process of localized electrografting onto photosensitive semiconductor substrates COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2013-06-18 US disclosed
US-20110281441-A1 Process of Localized Electrografting onto Photosensitive Semiconductor Substrates COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-11-17 US disclosed