SCHEMBL18937271

SCHEMBL18937271

CC(C)N1C(=O)COc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.48
MAPT P10636 2/20 0.41
KMT2A Q03164 3/20 0.40
CASP6 P55212 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP4 P49662 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
ALDH1A1 P00352 7/20 0.39
GAA P10253 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
LMNA P02545 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
SCHEMBL30806655 0.85 TERT (0.43) TERTMAPTKMT2ACASP6MEN1
SCHEMBL3042096 0.82 TERT (0.51) TERTCASP6POLBAPEX1CTDSP1
SCHEMBL30806340 0.81 TERT (0.47) TERTMAPTKMT2AMEN1POLB
SCHEMBL27378076 0.81 TERT (0.42) TERTMAPTKMT2AMEN1POLB
SCHEMBL30806457 0.79 SLC5A1 (0.40) TERTMAPTKMT2AMEN1ALDH1A1
SCHEMBL16601585 0.79 HTT (0.45) TERTMAPTKMT2AMEN1POLB
SCHEMBL8130592 0.78 TERT (0.48) TERTMAPTKMT2ACASP6MEN1
SCHEMBL30806720 0.78 KCNN4 (0.45) TERT
SCHEMBL13340948 0.77 MAOB (0.38) MAPTPOLBHPGDHTTSMN1; SMN2
SCHEMBL30921780 0.77 PIK3CD (0.46) KMT2ACASP6MEN1GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017093545-A1 ANTI-BACTERIAL COMPOUNDS BASED ON AMINO-GOLD PHOSPHINE COMPLEXES AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed