SCHEMBL29868082

SCHEMBL29868082

O=[N+]([O-])c1ccc(NCCOCCO)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
MAPT P10636 7/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 7/20 0.54
PKM P14618 2/20 0.53
POLB P06746 2/20 0.52
HCAR3 P49019 1/20 0.50
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
PTGER4 P35408 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 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
SCHEMBL563246 1.00 KMT2A (0.71) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL13056646 0.91 KMT2A (0.61) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL21531127 0.90 KMT2A (0.60) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL13248198 0.86 KMT2A (0.56) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL13248200 0.86 MAPT (0.58) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL30670380 0.86 MAPT (0.58) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL563763 0.86 PKM (0.67) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL23705193 0.85 KMT2A (0.55) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL21973136 0.85 MAPT (0.57) KMT2AMAPTSMN1; SMN2TDP1KDM4E
SCHEMBL21113593 0.85 KMT2A (0.55) KMT2AMAPTSMN1; SMN2TSHRTDP1

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