SCHEMBL31398331

SCHEMBL31398331

[Se]=C=Nc1ccccc1I

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 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
SCHEMBL1325334 0.76 ALDH1A1 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30876056 0.76 ALDH1A1 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4088364 0.71 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11723299 0.67
SCHEMBL9317455 0.67 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Formamide SCHEMBL27817474 0.64 SIGMAR1 (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26178769 0.63 SIGMAR1 (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28219 0.62
SCHEMBL29350069 0.62
SCHEMBL28003965 0.62 TAAR1 (0.43)

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
CN-119285625-A Compound containing aminobenzoselenazole and triazole bi-heterocycle, and preparation and application thereof 吉首大学 2025-01-10 CN disclosed