SCHEMBL31407214

SCHEMBL31407214

CNCc1ccncc1Br

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.49
SLC6A4 P31645 7/20 0.49
AOC1 P19801 5/20 0.43
AOC3 Q16853 5/20 0.43
CYP2A6 P11509 3/20 0.41
PARP1 P09874 1/20 0.39
PRMT6 Q96LA8 2/20 0.38
EPHX2 P34913 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
PRKCI P41743 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL31407243 1.00 SLC6A2 (0.49) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL30825360 0.85 AOC1 (0.41) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL2996857 0.78 SLC6A2 (0.48) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL31407203 0.78 SLC6A2 (0.48) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL31651759 0.77
SCHEMBL793614 0.77
SCHEMBL16196603 0.77 KMT2A (0.48) PARP1KMT2A
SCHEMBL29192994 0.77 AOC1 (0.38) SLC6A2SLC6A4AOC1AOC3PARP1
SCHEMBL12836473 0.76 SLC6A2 (0.54) SLC6A2SLC6A4AOC1AOC3CYP2A6
SCHEMBL22961934 0.76 AOC1 (0.43) SLC6A2SLC6A4AOC1AOC3CYP2A6

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