SCHEMBL31010049

SCHEMBL31010049

CCOCC(C)n1cccn1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
NOS1 P29475 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
SCHEMBL31010232 0.84 HRH1 (0.32) ADRB2ADRB1ADRB3NOS1
SCHEMBL26860422 0.81 MEN1 (0.34) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL30320372 0.81 MEN1 (0.34) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL19222183 0.81 MEN1 (0.34) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL31010104 0.80 FDPS (0.32)
SCHEMBL24662259 0.78
SCHEMBL24662260 0.78
SCHEMBL3347850 0.78
Bromide SCHEMBL28195538 0.76 MEN1 (0.35) MEN1KMT2ANOS1
SCHEMBL28214635 0.75 MEN1 (0.37) MEN1KMT2AADRB2ADRB1ADRB3

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
EP-4646410-A1 TUBULIN POLYMERIZATION INHIBITORS AB Science (FR) 2025-11-12 EP disclosed
WO-2024146923-A1 TUBULIN POLYMERIZATION INHIBITORS AB SCIENCE (FR) 2024-07-11 WO disclosed