SCHEMBL21973136

SCHEMBL21973136

CCCOCCOCCOCCOCCOCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
HCAR3 P49019 4/20 0.49
CYP19A1 P11511 1/20 0.49
POLB P06746 3/20 0.48
PKM P14618 3/20 0.48
RAB9A P51151 2/20 0.48
PTGER4 P35408 1/20 0.48
NPC1 O15118 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL20402081 0.92 MAPT (0.60) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL18484959 0.91 MAPT (0.59) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL20415311 0.90 KMT2A (0.55) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL28845231 0.87 KMT2A (0.55) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL21113593 0.87 KMT2A (0.55) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL23705193 0.87 KMT2A (0.55) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL29868082 0.85 KMT2A (0.71) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL13248198 0.85 KMT2A (0.56) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL563246 0.85 KMT2A (0.71) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL22162663 0.85 MAPT (0.56) MAPTKDM4EKMT2AALDH1A1LMNA

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
EP-3764083-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY Ventana Medical Systems, Inc. (US) 2021-01-13 EP disclosed
EP-3764084-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY Ventana Medical Systems, Inc. (US) 2021-01-13 EP disclosed
EP-2972227-B1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MED SYST INC (US) 2020-05-06 EP disclosed