SCHEMBL30005172

SCHEMBL30005172

O=[N+]([O-])c1ccc(S(=O)(=O)C2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
MAPT P10636 6/20 0.44
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SIRT6 Q8N6T7 2/20 0.42
ADRB1 P08588 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ACHE P22303 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL30005392 0.82 ALDH1A1 (0.44) MAPTALDH1A1ADRB1SMN1; SMN2MEN1
SCHEMBL3007916 0.79 SMN1; SMN2 (0.58) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL2148897 0.79 CA2 (0.53) MAPTPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL17373706 0.79 SIRT6 (0.51) POLBALDH1A1SIRT6SMN1; SMN2ACHE
SCHEMBL3012503 0.77 MAPT (0.43) ENPP2MAPTPOLBSMN1; SMN2MEN1
SCHEMBL2345848 0.76 ACHE (0.51) MAPTPOLBMEN1KMT2AACHE
SCHEMBL1871990 0.75 CA12 (0.47) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL3005704 0.75 SMN1; SMN2 (0.52) MAPTPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL20379733 0.75 ACHE (0.50) MAPTPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL3020027 0.74 MAPT (0.69) MAPTPOLBCYP2C9CYP2C19ALDH1A1

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