SCHEMBL28600780

SCHEMBL28600780

C=CN1C=CN(CCCCCC)C1Br

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MGLL Q99685 2/20 0.30
FAAH O00519 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
SCHEMBL28508616 1.00 TSHR (0.31) TSHRPTGS1PTGS2MGLLFAAH
SCHEMBL3697709 1.00 TSHR (0.31) TSHRPTGS1PTGS2MGLLFAAH
SCHEMBL28007281 0.81 EBP (0.33) TSHRPTGS1PTGS2MGLLFAAH
SCHEMBL28447945 0.78
SCHEMBL27654164 0.77 PTGS1 (0.34) TSHRPTGS1PTGS2MGLLFAAH
SCHEMBL28253612 0.77 PTGS1 (0.34) TSHRPTGS1PTGS2MGLLFAAH
SCHEMBL27753465 0.77 PTGS1 (0.34) TSHRPTGS1PTGS2MGLLFAAH
SCHEMBL28025035 0.77 PTGS1 (0.34) TSHRPTGS1PTGS2MGLLFAAH
SCHEMBL28024602 0.77 PTGS1 (0.34) TSHRPTGS1PTGS2MGLLFAAH
SCHEMBL27733076 0.77 PTGS1 (0.34) TSHRPTGS1PTGS2MGLLFAAH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117379547-A Antibacterial and antiviral dressing capable of preventing mixed infection from spreading 复旦大学附属中山医院 2024-01-12 CN disclosed
CN-113041387-B Antibacterial dressing for blocking drug resistance propagation 复旦大学附属中山医院 2022-04-08 CN disclosed
CN-113041387-A Antibacterial dressing for blocking drug resistance propagation 复旦大学附属中山医院 2021-06-29 CN disclosed