SCHEMBL28726329

SCHEMBL28726329

Cc1nccc(NC=O)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 4/20 0.41
▸ GRM4 Q14833 1/20 0.37
▸ PIK3C3 Q8NEB9 11/20 0.37
▸ HRH4 Q9H3N8 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ JAK2 O60674 1/20 0.33
▸ TYK2 P29597 1/20 0.33

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
SCHEMBL28311822 0.78 AURKA (0.40) —
SCHEMBL9461070 0.76 MEN1 (0.33) —
SCHEMBL27384087 0.76 GRM5 (0.35) GRM5
SCHEMBL21845541 0.74 MEN1 (0.34) —
SCHEMBL2751436 0.74 — —
SCHEMBL30803768 0.74 — —
SCHEMBL29213157 0.73 — —
SCHEMBL10138646 0.72 — —
SCHEMBL14606030 0.72 — —
SCHEMBL211584 0.72 NPC1 (0.50) —

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-114295736-A Detection method of vitamin B1 impurity 华中药业股份有限公司 2022-04-08 — — CN disclosed
Send feedback