SCHEMBL31056347

SCHEMBL31056347

COc1c(O)c(C=O)cc(Br)c1F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 0.50
PRKDC P78527 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9319337 0.84 ERN1 (0.54) ERN1PRKDCCA1CA2
SCHEMBL5881501 0.79 ERN1 (0.53) ERN1PRKDCCA1CA2MAPT
SCHEMBL30646113 0.78 ERN1 (0.53) ERN1LMNAMAPT
SCHEMBL5143316 0.78 ERN1 (0.51) ERN1PRKDCCA1CA2LMNA
SCHEMBL9787541 0.77 ERN1 (0.48) ERN1CA1CA2LMNAMAPT
SCHEMBL28678695 0.77 ERN1 (0.51) ERN1CA1CA2
SCHEMBL29365717 0.77 ERN1 (0.51) ERN1CA1CA2
SCHEMBL20562487 0.77 PRKDC (0.47) ERN1PRKDCCA1CA2LMNA
SCHEMBL30665106 0.77 PRKDC (0.47) ERN1PRKDCCA1CA2LMNA
SCHEMBL12143391 0.75 ERN1 (0.47) ERN1PRKDCCA1CA2

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
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed