SCHEMBL20718565

SCHEMBL20718565

CC[n+]1c(/C=C/c2ccc(-c3ccc(Br)cc3)o2)sc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 3/20 0.49
▸ MAPT P10636 9/20 0.47
▸ KMT2A Q03164 8/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ HTT P42858 7/20 0.47
▸ THRB P10828 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ APP P05067 2/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ NPC1 O15118 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ GAA P10253 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL20718569 0.89 INSR (0.49) INSRMAPTKMT2AMEN1HTT
SCHEMBL20718568 0.87 ADRB2 (0.46) INSRMAPTKMT2AMEN1HTT
SCHEMBL20718363 0.84 INSR (0.49) INSRMAPTKMT2AMEN1HTT
SCHEMBL20718365 0.79 KDM4E (0.49) INSRMAPTKMT2AMEN1HTT
SCHEMBL20718359 0.76 INSR (0.46) INSRMAPTKMT2AMEN1HTT
SCHEMBL20718600 0.75 ADRB2 (0.52) INSRMAPTKMT2AMEN1HTT
SCHEMBL17322556 0.72 INSR (0.75) INSRMAPTKMT2AMEN1HTT
SCHEMBL16800102 0.72 MAPT (0.63) INSRMAPTKMT2AMEN1HTT
SCHEMBL20718562 0.71 ADRB2 (0.46) INSRMAPTKMT2AMEN1HTT
SCHEMBL20718457 0.70 MEN1 (0.48) INSRMAPTKMT2AMEN1HTT

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-2019025595-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES KARIN & STEN MORTSTEDT CBD SOLUTIONS AB (SE) 2019-02-07 — — WO disclosed
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