SCHEMBL23748191

SCHEMBL23748191

C=CCCc1c(F)cccc1Br

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EED O75530 7/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 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
SCHEMBL17097240 0.81 EED (0.37) EEDTAAR1MEN1KMT2AGAA
SCHEMBL23977152 0.78 EED (0.32) EED
SCHEMBL30062498 0.78 EED (0.32) EED
SCHEMBL20558456 0.76 TAAR1 (0.59) EEDTAAR1
SCHEMBL27577860 0.76 TAAR1 (0.39) EEDTAAR1TDP1GAA
SCHEMBL9047151 0.76 EED (0.36) EEDTAAR1GAA
SCHEMBL9046829 0.75 EED (0.40) EEDTAAR1
SCHEMBL17979943 0.75 TAAR1 (0.38) EEDTAAR1TDP1GAA
SCHEMBL30818012 0.75 TAAR1 (0.38) EEDTAAR1TDP1GAA
SCHEMBL15618222 0.75 ALDH1A1 (0.41) EEDTAAR1MEN1KMT2ATDP1

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-3864020-A1 MACROCYCLIC FLU ENDONUCLEASE INHIBITORS Janssen BioPharma, Inc. (US) 2021-08-18 EP disclosed