SCHEMBL25596084

SCHEMBL25596084

CC(C)(C)c1cccc2c1-c1ccc(Br)cc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.44
PTPRC P08575 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL25502728 0.95 PDK2 (0.41) PDK2
SCHEMBL3885909 0.82 PDK2 (0.49) PDK2PTPRCESR1ESR2OPRM1
SCHEMBL22744936 0.82 PDK2 (0.49) PDK2PTPRCESR1ESR2OPRM1
SCHEMBL29456661 0.82 PDK2 (0.49) PDK2PTPRCESR1ESR2OPRM1
SCHEMBL17780753 0.81 PDK2 (0.46) PDK2PTPRCESR1ESR2OPRM1
SCHEMBL29399278 0.80 PDK2 (0.58) PDK2PTPRCESR1ESR2OPRM1
SCHEMBL996751 0.80 PDK2 (0.58) PDK2PTPRCESR1ESR2OPRM1
SCHEMBL783450 0.80 PDK2 (0.58) PDK2PTPRCESR1ESR2OPRM1
SCHEMBL29574412 0.80 PDK2 (0.58) PDK2PTPRCESR1ESR2OPRM1
SCHEMBL783463 0.80 PDK2 (0.58) PDK2PTPRCESR1ESR2OPRM1

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-2023099543-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2023-06-08 WO disclosed