SCHEMBL30033289

SCHEMBL30033289

O=c1[nH]c2cc(F)c(C3CC3)cc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPEPPS P55786 1/20 0.38
▸ CYP11B1 P15538 7/20 0.38
▸ CYP11B2 P19099 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TLR9 Q9NR96 3/20 0.35
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL27377733 0.83 NPEPPS (0.38) NPEPPSCYP11B1CYP11B2KDM4EHTT
SCHEMBL30033620 0.83 NPEPPS (0.41) NPEPPSCYP11B1CYP11B2KDM4EHTT
SCHEMBL30033277 0.82 NPEPPS (0.43) NPEPPSCYP11B1CYP11B2KDM4EHTT
SCHEMBL30032796 0.81 CYP11B2 (0.46) NPEPPSCYP11B1CYP11B2KDM4EHTT
SCHEMBL27192079 0.81 NPEPPS (0.41) NPEPPSCYP11B1CYP11B2KDM4EHTT
SCHEMBL27377721 0.79 NPEPPS (0.39) NPEPPSCYP11B1CYP11B2KDM4EHTT
SCHEMBL30033473 0.79 CYP11B2 (0.42) CYP11B1CYP11B2P2RX7
SCHEMBL27377461 0.78 ERCC5 (0.35) NPEPPSCYP11B1CYP11B2
SCHEMBL31509793 0.77 NPEPPS (0.57) NPEPPSCYP11B1CYP11B2KDM4EHTT
SCHEMBL27377720 0.77 KDM4E (0.42) NPEPPSCYP11B1CYP11B2KDM4EHTT

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
WO-2022224223-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2022-10-27 — — WO disclosed
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