SCHEMBL30132770

SCHEMBL30132770

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.33
▸ ALDH1A3 P47895 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ KAT2B Q92831 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ PTGER4 P35408 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
SCHEMBL25315001 1.00 MEN1 (0.37) MEN1PGRKMT2AALDH1A1ALDH1A3
SCHEMBL30227287 0.81 ALDH1A1 (0.44) MEN1PGRKMT2AALDH1A1SMN1; SMN2
SCHEMBL25312276 0.81 ALDH1A1 (0.44) MEN1PGRKMT2AALDH1A1SMN1; SMN2
SCHEMBL30132785 0.80 PGR (0.52) MEN1PGRKMT2AALDH1A1SMN1; SMN2
SCHEMBL25314386 0.80 PGR (0.52) MEN1PGRKMT2AALDH1A1SMN1; SMN2
SCHEMBL25312867 0.78 MEN1 (0.34) MEN1PGRKMT2A
SCHEMBL30227489 0.78 MEN1 (0.34) MEN1PGRKMT2A
SCHEMBL25312905 0.78 AR (0.36) ALDH1A1SMN1; SMN2
SCHEMBL30227657 0.78 AR (0.36) ALDH1A1SMN1; SMN2
SCHEMBL25312049 0.72 PGR (0.41) MEN1PGRKMT2AALDH1A1ALDH1A3

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-4143182-B1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2024-12-11 — — 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
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