SCHEMBL31407211

SCHEMBL31407211

CNCc1ccncc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.54
SLC6A4 P31645 10/20 0.54
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 1/20 0.41
AOC1 P19801 2/20 0.41
AOC3 Q16853 2/20 0.41
POLB P06746 1/20 0.40
KDM4C Q9H3R0 2/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2A6 P11509 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL9949489 0.85 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3POLBMEN1
SCHEMBL10175184 0.79 CA12 (0.46) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL5878684 0.77 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3KCNH2KDM4C
SCHEMBL29829964 0.77 CYP11B1 (0.49) SLC6A2SLC6A4SLC6A3POLBMEN1
SCHEMBL7330298 0.77 CA12 (0.41) SLC6A2SLC6A4SLC6A3AOC1AOC3
SCHEMBL5114144 0.77 CYP11B1 (0.49) SLC6A2SLC6A4SLC6A3POLBMEN1
SCHEMBL4893069 0.77 AOC1 (0.53) AOC1AOC3CYP1A2CYP2C19CYP2A6
SCHEMBL9662870 0.77 CA12 (0.41) SLC6A2SLC6A4SLC6A3AOC1AOC3
SCHEMBL7672393 0.77 CA12 (0.44) SLC6A2SLC6A4SLC6A3POLBKDM4C
SCHEMBL24316214 0.76 TSHR (0.48) MEN1GAATSHRKMT2A

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-4743455-A1 SARM1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
WO-2025012296-A1 SARM1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed