SCHEMBL30005392

SCHEMBL30005392

Nc1ccc(S(=O)(=O)C2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALOX12 P18054 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SPR P35270 1/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 2/20 0.42
KCNH2 Q12809 2/20 0.42
DRD2 P14416 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRB1 P08588 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NOTUM Q6P988 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIK3CA P42336 4/20 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
SCHEMBL30005172 0.82 ENPP2 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30005615 0.78 GCK (0.55) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL2149410 0.77 TSHR (0.52) ALDH1A1LMNAHTR2AMEN1KMT2A
SCHEMBL14538027 0.76 NAMPT (0.46) ALDH1A1MAPTHTR2AHTR2CKCNH2
SCHEMBL2148808 0.73 TSHR (0.48) ALDH1A1LMNAMEN1KMT2AHTR6
SCHEMBL31219768 0.73 TSHR (0.48) ALDH1A1LMNAMEN1KMT2AHTR6
SCHEMBL6120462 0.73 HTR2A (0.40) ALDH1A1LMNAHTR2AHTR2CKCNH2
SCHEMBL5428002 0.73 CA12 (0.44) ALDH1A1LMNASPRHTR2AHTR2C
SCHEMBL20379865 0.72 TSHR (0.46) ALDH1A1LMNAMEN1KMT2AHTR6
SCHEMBL14501620 0.71 HTR2A (0.52) ALDH1A1HTR2AHTR2CKCNH2DRD2

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed