SCHEMBL17803640

SCHEMBL17803640

NC(=O)NCCC[C@H](NC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1)C(=O)Nc1ccc(CCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.38
▸ SSTR3 P32745 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ MEN1 O00255 3/20 0.33

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
SCHEMBL17803641 1.00 PDF (0.38) PDFSSTR3HTTNPC1RAB9A
SCHEMBL19803950 0.90 HTR2A (0.37) PDFSSTR3DPP8DPP9TGM2
SCHEMBL16847982 0.90 HTR2A (0.37) PDFSSTR3DPP8DPP9TGM2
SCHEMBL17803629 0.90 HTR2A (0.37) PDFSSTR3DPP8DPP9TGM2
SCHEMBL17801960 0.88 ITGB1 (0.34) EHMT2
SCHEMBL16847844 0.88 OPRM1 (0.33) —
SCHEMBL17813693 0.87 RAB9A (0.36) RAB9A
SCHEMBL22698603 0.87 SIRT2 (0.35) —
SCHEMBL17801794 0.87 SSTR3 (0.32) PDFSSTR3USP21
SCHEMBL21695294 0.86 HDAC3 (0.37) NPC1RAB9ASMN1; SMN2EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226908-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2017-10-11 — — EP disclosed
WO-2016090040-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO disclosed
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