SCHEMBL29558207

SCHEMBL29558207

Cc1cc([N+](=O)[O-])ccc1OC(=O)Oc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.38
▸ PDF Q9HBH1 1/20 0.35
▸ PARP14 Q460N5 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FURIN P09958 7/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL12436525 0.88 FAP (0.44) FAPPDFALDH1A1L3MBTL1FURIN
SCHEMBL17178689 0.88 FAP (0.44) FAPPDFALDH1A1L3MBTL1FURIN
SCHEMBL12441917 0.88 FAP (0.44) FAPPDFALDH1A1L3MBTL1FURIN
SCHEMBL3798438 0.88 FAP (0.44) FAPPDFALDH1A1L3MBTL1FURIN
SCHEMBL18391329 0.88 FAP (0.44) FAPPDFALDH1A1L3MBTL1FURIN
SCHEMBL3205376 0.88 FAP (0.44) FAPPDFALDH1A1L3MBTL1FURIN
SCHEMBL12442419 0.88 FAP (0.44) FAPPDFALDH1A1L3MBTL1FURIN
Water SCHEMBL30811226 0.87 FAP (0.43) FAPPDFALDH1A1L3MBTL1FURIN
SCHEMBL31468833 0.86 FAP (0.42) FAPFURINSIRT2
SCHEMBL12435192 0.85 FAP (0.38) FAPPDFFURINSSTR3

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
EP-3999501-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF Silverback Therapeutics, Inc. (US) 2022-05-25 — — EP disclosed
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