SCHEMBL20176981

SCHEMBL20176981

CNc1cc(Br)cc(F)c1OC=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32

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
SCHEMBL16469385 0.82 MAPT (0.32) MAPT
SCHEMBL24042300 0.79 ERN1 (0.41) MAPT
SCHEMBL12040540 0.74 DGAT1 (0.31)
SCHEMBL24207668 0.72 RAB9A (0.34) MAPT
SCHEMBL21823376 0.71 ERN1 (0.40)
SCHEMBL21368845 0.70 ERN1 (0.35)
SCHEMBL30525820 0.67 HDAC1 (0.34)
SCHEMBL20600826 0.67 HDAC1 (0.34)
SCHEMBL21105184 0.67
SCHEMBL16546182 0.67 PARP1 (0.33) MAPT

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-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed