SCHEMBL30227489

SCHEMBL30227489

CC1(C)C(=O)N(c2cc(C3OCCO3)ccc2F)c2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ PTH1R Q03431 5/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL25312867 1.00 MEN1 (0.34) MEN1KMT2APGRPTH1RRAB9A
SCHEMBL25314259 0.82 PGR (0.47) MEN1KMT2APGRPTH1RSCN9A
SCHEMBL30132808 0.82 PGR (0.47) MEN1KMT2APGRPTH1RSCN9A
SCHEMBL30132770 0.78 MEN1 (0.37) MEN1KMT2APGR
SCHEMBL25315001 0.78 MEN1 (0.37) MEN1KMT2APGR
SCHEMBL25313095 0.78 PTH1R (0.34) PTH1RRAB9A
SCHEMBL30227445 0.78 PTH1R (0.34) PTH1RRAB9A
SCHEMBL25313606 0.77 MEN1 (0.39) MEN1KMT2APGRSCN9A
SCHEMBL29565622 0.77 MEN1 (0.39) MEN1KMT2APGRSCN9A
SCHEMBL25312276 0.72 ALDH1A1 (0.44) MEN1KMT2APGRRAB9A

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-4143182-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS Rhizen Pharmaceuticals AG (CH) 2023-03-08 — — EP disclosed
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