SCHEMBL24457938

SCHEMBL24457938

Nc1nc2cccc(Cl)c2n1[C@H]1CCCCN(I)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.44
▸ EGFR P00533 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HSD11B1 P28845 2/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ HTR3A P46098 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ OPRM1 P35372 2/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ OGFRL1 Q5TC84 2/20 0.32
▸ C5AR1 P21730 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
SCHEMBL24457962 0.86 PRMT5 (0.50) PRMT5EGFRCYP2D6HSD11B1HCAR1
SCHEMBL24457922 0.86 PRMT5 (0.50) PRMT5EGFRCYP2D6HSD11B1HCAR1
SCHEMBL23408954 0.86 PRMT5 (0.50) PRMT5EGFRCYP2D6HSD11B1HCAR1
SCHEMBL27020005 0.83 PRMT5 (0.44) PRMT5EGFRCYP2D6HSD11B1HCAR1
SCHEMBL25069062 0.83 PRMT5 (0.44) PRMT5EGFRCYP2D6HSD11B1HCAR1
SCHEMBL25068975 0.83 PRMT5 (0.44) PRMT5EGFRCYP2D6HSD11B1KCNH2
SCHEMBL26606547 0.82 EGFR (0.43) PRMT5EGFRCYP2D6HSD11B1HCAR1
SCHEMBL26132563 0.82 EGFR (0.43) PRMT5EGFRCYP2D6HSD11B1HCAR1
SCHEMBL25068977 0.77 PRMT5 (0.51) PRMT5HSD11B1HCAR1GAAOPRM1
SCHEMBL24458045 0.77 PRMT5 (0.51) PRMT5HSD11B1HCAR1GAAOPRM1

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-2022106902-A2 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2022-05-27 — — WO disclosed
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