SCHEMBL17807576

SCHEMBL17807576

O=C(CNC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MGLL Q99685 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL19803950 0.85 HTR2A (0.37) HTR2AALDH1A1MAPK1L3MBTL1MGLL
SCHEMBL16847982 0.85 HTR2A (0.37) HTR2AALDH1A1MAPK1L3MBTL1MGLL
SCHEMBL17803629 0.85 HTR2A (0.37) HTR2AALDH1A1MAPK1L3MBTL1MGLL
SCHEMBL23020008 0.83 OPRM1 (0.35) LMNA
SCHEMBL16829392 0.82 HTR2A (0.39) HTR2AALDH1A1MGLLDPP8DPP9
SCHEMBL18722888 0.80 HTR2A (0.41) HTR2AALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL20830999 0.80 OPRM1 (0.36) ALDH1A1MAPK1L3MBTL1MGLLKMT2A
SCHEMBL19683911 0.80 OPRM1 (0.36) ALDH1A1MAPK1L3MBTL1MGLLKMT2A
SCHEMBL21249107 0.79 HTR2A (0.40) HTR2AALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL21254302 0.79 HTR2A (0.45) HTR2AALDH1A1MAPK1L3MBTL1MGLL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464280-B1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2021-10-06 — — EP disclosed
WO-2016090040-A9 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2017-06-29 — — WO disclosed
WO-2016090040-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO disclosed
WO-2016090038-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO disclosed
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