SCHEMBL31335498

SCHEMBL31335498

NCc1ccc(-c2cc(-c3n[nH]c(=O)o3)ccc2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 20/20 0.57
▸ CYP1A2 P05177 1/20 0.57

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
SCHEMBL23825802 1.00 NOTUM (0.57) NOTUMCYP1A2
Hydrochloric Acid SCHEMBL23827016 0.99 NOTUM (0.56) NOTUMCYP1A2
SCHEMBL31335569 0.91 NOTUM (0.55) NOTUMCYP1A2
SCHEMBL23825533 0.91 NOTUM (0.55) NOTUMCYP1A2
SCHEMBL23825566 0.91 NOTUM (0.55) NOTUMCYP1A2
SCHEMBL31335479 0.91 NOTUM (0.55) NOTUMCYP1A2
Hydrochloric Acid SCHEMBL23826079 0.90 NOTUM (0.54) NOTUMCYP1A2
Hydrochloric Acid SCHEMBL23827096 0.90 NOTUM (0.54) NOTUMCYP1A2
SCHEMBL23825552 0.83 NOTUM (0.52) NOTUMCYP1A2
SCHEMBL23825685 0.82 NOTUM (0.54) NOTUMCYP1A2

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
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 — — CN claimed
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 — — CN disclosed
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