SCHEMBL27760603

SCHEMBL27760603

NCCCCC(N)C(=O)C(OC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.40
▸ HTR2A P28223 1/20 0.38
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ GRM8 O00222 1/20 0.35
▸ GRM6 O15303 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL28783978 0.78 MMP2 (0.49) MMP2KMT2APKMALDH1A1HTR2A
SCHEMBL4423862 0.78 MMP2 (0.53) MMP2KMT2APKMALDH1A1HTR2A
SCHEMBL8740500 0.78 MMP2 (0.53) MMP2KMT2APKMALDH1A1HTR2A
SCHEMBL2387943 0.78 MMP2 (0.53) MMP2KMT2APKMALDH1A1HTR2A
Lysine SCHEMBL28327845 0.76 GSR (0.56) MMP2KMT2APKMALDH1A1MAPT
Lysine SCHEMBL28385610 0.76 GSR (0.56) MMP2KMT2APKMALDH1A1MAPT
SCHEMBL14125570 0.76 MGLL (0.46) KMT2APKMALDH1A1HTR2ABCL9
Lysine SCHEMBL27760106 0.75 GSR (0.54) MMP2KMT2APKMALDH1A1MAPT
Lysine SCHEMBL27760108 0.75 GSR (0.54) MMP2KMT2APKMALDH1A1MAPT
SCHEMBL14308548 0.73 KMT2A (0.73) KMT2APKMALDH1A1HTR2ABCL9

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-100522249-C Elongated multiple spacers in activatable prodrugs SINTAGAR B V (NL) 2009-08-05 — — CN disclosed
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