SCHEMBL29565622

SCHEMBL29565622

CC1(O)C(=O)N(c2cc(C3OCCO3)ccc2F)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PGR P06401 1/20 0.39
▸ SCN9A Q15858 2/20 0.36
▸ TNKS O95271 1/20 0.34
▸ ALDH1A1 P00352 7/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL25313606 1.00 MEN1 (0.39) MEN1KMT2APGRSCN9ATNKS
SCHEMBL25314259 0.90 PGR (0.47) MEN1KMT2APGRSCN9ATNKS
SCHEMBL30132808 0.90 PGR (0.47) MEN1KMT2APGRSCN9ATNKS
SCHEMBL30132793 0.82 ALDH1A1 (0.42) MEN1KMT2APGRTNKSALDH1A1
SCHEMBL25314511 0.82 ALDH1A1 (0.42) MEN1KMT2APGRTNKSALDH1A1
SCHEMBL25311893 0.79 ALDH1A1 (0.33) MEN1KMT2ASCN9AALDH1A1CYP2C19
SCHEMBL25312867 0.77 MEN1 (0.34) MEN1KMT2APGRSCN9A
SCHEMBL23972244 0.77 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP2C19CYP2D6
SCHEMBL24687985 0.77 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP2C19CYP2D6
SCHEMBL30227489 0.77 MEN1 (0.34) MEN1KMT2APGRSCN9A

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 3 patents. 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
CN-115485271-A Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) 理森制药股份公司 2022-12-16 — — CN disclosed
WO-2022090938-A1 PHTHALAZINONE DERIVATIVES USEFUL AS PARP INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-05-05 — — WO disclosed
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