SCHEMBL29700709

SCHEMBL29700709

C1=NCNc2ncccc21.[O]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL870400 0.98 CYP1A2 (0.31) CYP1A2SMN1; SMN2
SCHEMBL29362460 0.98 CYP1A2 (0.31) CYP1A2SMN1; SMN2
SCHEMBL29455183 0.69 CA12 (0.32) CYP1A2SMN1; SMN2
SCHEMBL160279 0.69 CA12 (0.32) CYP1A2SMN1; SMN2
SCHEMBL963613 0.68
SCHEMBL30051018 0.68 NOS2 (0.39)
SCHEMBL34525 0.68 NOS2 (0.39)
SCHEMBL3795932 0.68 CYP1A2 (0.34) CYP1A2SMN1; SMN2
Potassium SCHEMBL7583421 0.68 CA12 (0.31) CYP1A2SMN1; SMN2
Bromide SCHEMBL7993026 0.67 NOS2 (0.38)

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
WO-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO disclosed