SCHEMBL31031230

SCHEMBL31031230

C=C(F)c1ccc2c(c1)nc1cc(N3CC(OS(=O)(=O)c4ccc(C)cc4)C3)ccn12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.31
TP53 P04637 2/20 0.31
POLB P06746 2/20 0.31
RAB9A P51151 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
SCHEMBL31031249 0.85 CYP2D6 (0.35) CYP2D6CYP1A2TP53POLBRAB9A
SCHEMBL18838768 0.82 CYP2D6 (0.40) CYP2D6CYP1A2TP53POLBRAB9A
SCHEMBL31031211 0.82 CYP2D6 (0.34) CYP2D6CYP1A2TP53POLBRAB9A
SCHEMBL31031214 0.78 MAPK8 (0.32)
SCHEMBL31031239 0.76 CYP2D6 (0.44) CYP2D6CYP1A2TP53POLBRAB9A
SCHEMBL21035280 0.72 MAPT (0.37) TP53POLBRAB9A
SCHEMBL31031217 0.69 HTR3E (0.40) CYP1A2TP53POLBRAB9A
SCHEMBL31031221 0.69 HTR3E (0.40) CYP1A2TP53POLBRAB9A
SCHEMBL31031243 0.66 KIT (0.38)
SCHEMBL2163149 0.66 HSD11B1 (0.41) CYP2D6CYP1A2POLBRAB9A

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