SCHEMBL29923274

SCHEMBL29923274

Cc1cc(Br)c(C2OCCO2)c(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
RAB9A P51151 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
SCHEMBL29548026 0.79 SIRT2 (0.33)
SCHEMBL24269769 0.79 SIRT2 (0.33)
SCHEMBL23802683 0.78 MEN1 (0.30)
SCHEMBL10561767 0.74 HPGD (0.33)
SCHEMBL30034644 0.74 KDM1A (0.30)
SCHEMBL23802694 0.74 KDM1A (0.30)
SCHEMBL27172718 0.73 ESR1 (0.33)
SCHEMBL26982160 0.73 AHR (0.31) HTR2CHTR2B
SCHEMBL20441298 0.71
SCHEMBL29875091 0.71

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed