SCHEMBL30033277

SCHEMBL30033277

O=c1[nH]c2ccc(C3CC3)cc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPEPPS P55786 1/20 0.43
▸ MAT2A P31153 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PKM P14618 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP11B1 P15538 4/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ TLR8 Q9NR97 4/20 0.36
▸ TLR7 Q9NYK1 4/20 0.36
▸ TLR9 Q9NR96 3/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL31509793 0.82 NPEPPS (0.57) NPEPPSKDM4EHTTPKMHSD17B10
SCHEMBL30033289 0.82 NPEPPS (0.38) NPEPPSKDM4EHTTCYP11B1CYP11B2
SCHEMBL30033042 0.82 KDM4E (0.57) NPEPPSKDM4EHTTPKMHSD17B10
SCHEMBL30032168 0.82 NPEPPS (0.49) NPEPPSKDM4EHTTPKMHSD17B10
SCHEMBL30033426 0.81 NPEPPS (0.43) NPEPPSKDM4EHTTPKMHSD17B10
SCHEMBL30033413 0.80 KIF11 (0.46) NPEPPSKDM4EHTTPKMHSD17B10
SCHEMBL30034219 0.79 NPEPPS (0.43) NPEPPSMAT2AKDM4EHTTPKM
SCHEMBL30032902 0.79 HSP90AA1 (0.48) NPEPPSKDM4EHTT
SCHEMBL30034581 0.79 HSD17B10 (0.58) NPEPPSKDM4EHTTPKMHSD17B10
SCHEMBL27380824 0.79 KDM4E (0.34) NPEPPSMAT2AKDM4EHTTCYP11B1

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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