SCHEMBL29516680

SCHEMBL29516680

Brc1cncnc1.[O-][Br+]O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
CYP19A1 P11511 1/20 0.32
POLB P06746 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL167789 0.83
Bromide SCHEMBL11861598 0.80
SCHEMBL7892975 0.80
Ammonia Solution, Strong SCHEMBL16039940 0.80
Fluoromethane SCHEMBL28138428 0.75
SCHEMBL998973 0.62 DYRK1A (0.42) HCAR2
SCHEMBL998922 0.58 ATM (0.56) CYP19A1
SCHEMBL4974 0.57
SCHEMBL2814958 0.55 ATM (0.65) HCAR2
Bromide SCHEMBL31196810 0.55

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
EP-3710417-B1 ORGANOLITHIUM PROCESS UNDER CONTINUOUS FLOW CONDITIONS ALBEMARLE GERMANY GMBH (DE) 2022-04-06 EP disclosed