SCHEMBL30227445

SCHEMBL30227445

CC1(C)C(=O)N(c2cncc(C3OCCO3)c2)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 7/20 0.34
▸ EGLN1 Q9GZT9 3/20 0.33
▸ AR P10275 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ CYP11B1 P15538 2/20 0.31
▸ CYP11B2 P19099 2/20 0.31
▸ ELANE P08246 1/20 0.31
▸ TNKS O95271 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
SCHEMBL25313095 1.00 PTH1R (0.34) PTH1REGLN1ARRAB9ACYP11B1
SCHEMBL25314565 0.83 PGR (0.36) PTH1REGLN1
SCHEMBL30132794 0.83 PGR (0.36) PTH1REGLN1
SCHEMBL30227657 0.78 AR (0.36) EGLN1ARELANE
SCHEMBL25312905 0.78 AR (0.36) EGLN1ARELANE
SCHEMBL23972244 0.78 ALDH1A1 (0.38) EGLN1CYP11B1CYP11B2
SCHEMBL30718077 0.78 ALDH1A1 (0.38) EGLN1CYP11B1CYP11B2
SCHEMBL25312867 0.78 MEN1 (0.34) PTH1RRAB9A
SCHEMBL24687985 0.78 ALDH1A1 (0.38) EGLN1CYP11B1CYP11B2
SCHEMBL30227489 0.78 MEN1 (0.34) PTH1RRAB9A

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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