SCHEMBL31031237

SCHEMBL31031237

Cc1ccc(S(=O)(=O)OC2CN(c3ccn4c(nc5ccc(C)cc54)c3Cl)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
IKBKB O14920 1/20 0.38
CYP1A2 P05177 1/20 0.34
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 3/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 2/20 0.32
CNR2 P34972 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HSD11B1 P28845 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL31031247 0.93 CYP2D6 (0.42) CYP2D6IKBKBCYP1A2MAPTALDH1A1
SCHEMBL18838768 0.79 CYP2D6 (0.40) CYP2D6IKBKBCYP1A2MAPTALDH1A1
SCHEMBL31031239 0.74 CYP2D6 (0.44) CYP2D6IKBKBCYP1A2MAPTALDH1A1
SCHEMBL2163149 0.69 HSD11B1 (0.41) CYP2D6CYP1A2ALDH1A1LMNAGAA
SCHEMBL21035280 0.68 MAPT (0.37) IKBKBMAPTALDH1A1LMNAGAA
SCHEMBL31031249 0.67 CYP2D6 (0.35) CYP2D6CYP1A2RAB9APOLBTP53
SCHEMBL31031211 0.65 CYP2D6 (0.34) CYP2D6CYP1A2ALDH1A1GAARAB9A
SCHEMBL6645652 0.64 CYP2D6 (0.52) CYP2D6CYP1A2ALDH1A1LMNAGAA
SCHEMBL28683597 0.63 CYP2D6 (0.55) CYP2D6CYP1A2ALDH1A1LMNAKMT2A
SCHEMBL21987575 0.63 CYP2D6 (0.55) CYP2D6CYP1A2ALDH1A1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658651-A1 NOVEL COMPOUNDS FOR TAU IMAGING Eli Lilly and Company (US) 2025-12-10 EP disclosed
WO-2024163546-A1 NOVEL COMPOUNDS FOR TAU IMAGING ELI LILLY AND COMPANY (US) 2024-08-08 WO disclosed