SCHEMBL7912741

SCHEMBL7912741

O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ BCL9 O00512 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ MGLL Q99685 2/20 0.46
▸ FAAH O00519 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ PTPN7 P35236 1/20 0.39
▸ PTPN12 Q05209 1/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL3829326 0.90 MGLL (0.54) KMT2ABCL9CTNNB1MGLLFAAH
SCHEMBL556964 0.87 KMT2A (0.49) KMT2AMGLLFAAHTRPV1EPHX2
SCHEMBL10083799 0.84 KMT2A (0.48) KMT2ABCL9CTNNB1MGLLFAAH
SCHEMBL14966279 0.84 HTR2A (0.44) KMT2ABCL9CTNNB1MGLLEPHX2
SCHEMBL30242885 0.84 KMT2A (0.56) KMT2ABCL9CTNNB1MGLLFAAH
SCHEMBL14685603 0.84 KMT2A (0.56) KMT2ABCL9CTNNB1MGLLFAAH
SCHEMBL30678099 0.83 KMT2A (0.45) KMT2ABCL9CTNNB1MGLLFAAH
SCHEMBL31548905 0.83 KMT2A (0.46) KMT2AMGLLFAAHTRPV1EPHX2
SCHEMBL30538270 0.81 MGLL (0.44) KMT2AMGLLFAAHTRPV1EPHX2
SCHEMBL30355283 0.80 CASP3 (0.45) KMT2AMGLLEPHX2MAPTRAB9A

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
US-6187913-B1 Covalently crosslinked oligonucleotides, preparation method and synthon which is of use in the method GENSET (FR) 2001-02-13 — — US disclosed
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