SCHEMBL28845231

SCHEMBL28845231

NCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MAPT P10636 6/20 0.51
KDM4E B2RXH2 1/20 0.51
KAT2B Q92831 5/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 3/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HCAR3 P49019 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL23705193 1.00 KMT2A (0.55) KMT2AMAPTKDM4EKAT2BALDH1A1
SCHEMBL21113593 1.00 KMT2A (0.55) KMT2AMAPTKDM4EKAT2BALDH1A1
SCHEMBL14953718 0.87 KAT2B (0.57) KMT2AMAPTKDM4EKAT2BALDH1A1
SCHEMBL21973136 0.87 MAPT (0.57) KMT2AMAPTKDM4EALDH1A1POLB
SCHEMBL20402081 0.87 MAPT (0.60) KMT2AMAPTKDM4EALDH1A1POLB
SCHEMBL20415311 0.87 KMT2A (0.55) KMT2AMAPTKDM4EKAT2BALDH1A1
SCHEMBL3791900 0.86 MAPT (0.47) KMT2AMAPTKDM4EKAT2BALDH1A1
SCHEMBL20420152 0.86 KAT2B (0.49) KMT2AMAPTKAT2BALDH1A1POLB
SCHEMBL20419961 0.86 ALDH1A1 (0.57) KMT2AMAPTKAT2BALDH1A1POLB
SCHEMBL20420223 0.86 KAT2B (0.70) KMT2AMAPTKDM4EKAT2BALDH1A1

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
CN-115066438-A ASGPR binding compounds for degrading extracellular proteins 阿维拉治疗公司 2022-09-16 CN disclosed