SCHEMBL24876372

SCHEMBL24876372

Nc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3cccc(N4CCCC4)c3)c(Cl)c2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ APP P05067 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GFER P55789 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PFKFB3 Q16875 1/20 0.39

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
SCHEMBL31679833 0.84 LMNA (0.50) LCKKDRAPPMAPTTDP1
SCHEMBL31679983 0.78 LMNA (0.48) LCKKDRAPPMAPTTDP1
SCHEMBL31679936 0.78 LMNA (0.63) MAPTPOLBGAAKMT2AMEN1
SCHEMBL24876599 0.78 LMNA (0.48) LCKKDRAPPMAPTTDP1
SCHEMBL24876379 0.78 LMNA (0.63) MAPTPOLBGAAKMT2AMEN1
SCHEMBL31679842 0.76 LMNA (0.63) MAPTPOLBGAAKMT2AMEN1
SCHEMBL24876074 0.72 LMNA (0.60) LCKKDRMAPTPOLBGAA
SCHEMBL31679964 0.72 LMNA (0.60) LCKKDRMAPTPOLBGAA
SCHEMBL24876629 0.72 HSD17B2 (0.43) MAPTTDP1KMT2AMEN1LMNA
SCHEMBL24876266 0.68 CDK1 (0.48) ALDH1A1GAAKMT2AGFERHPGD

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-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 — — WO disclosed
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