SCHEMBL21837360

SCHEMBL21837360

O=C(/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2F)cc1)OCc1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1COC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 8/20 0.39
MEN1 O00255 7/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.34
MAOB P27338 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL31051132 0.89 MAPT (0.44) MAPTKDM4ETP53KMT2AMEN1
SCHEMBL679810 0.89 MAPT (0.44) MAPTKDM4ETP53KMT2AMEN1
SCHEMBL14151525 0.88 MAPT (0.48) MAPTKDM4ETP53KMT2AMEN1
SCHEMBL14151529 0.88 MAPT (0.48) MAPTKDM4ETP53KMT2AMEN1
SCHEMBL14151395 0.88 MAOB (0.34) MAOBBACE1
SCHEMBL14151398 0.88 MAOB (0.34) MAOBBACE1
SCHEMBL14151687 0.87 ALDH1A1 (0.40) MAPTKDM4ETP53KMT2AMEN1
SCHEMBL14151685 0.87 ALDH1A1 (0.40) MAPTKDM4ETP53KMT2AMEN1
SCHEMBL14019209 0.85 KMT2A (0.43) MAPTKDM4ETP53KMT2AMEN1
SCHEMBL14151446 0.83 MAPT (0.37) MAPTKDM4ETP53KMT2AMEN1

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
EP-2534191-B1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC TECH AG (CH) 2020-04-15 EP disclosed