SCHEMBL20718563

SCHEMBL20718563

C[n+]1c(/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ RXRA P19793 1/20 0.44
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ ADRB2 P07550 2/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL20718365 0.89 KDM4E (0.49) KDM4EALDH1A1RXRAMEN1KMT2A
SCHEMBL20718600 0.78 ADRB2 (0.52) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL20718568 0.78 ADRB2 (0.46) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL19918086 0.75 KDM4E (0.67) KDM4EALDH1A1RXRAMEN1KMT2A
SCHEMBL20718562 0.73 ADRB2 (0.46) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL20718564 0.72 ADRB2 (0.51) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL20718002 0.71 MAPT (0.58) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL1199113 0.70 KDM4E (0.67) KDM4EALDH1A1RXRAMEN1KMT2A
SCHEMBL6545560 0.70 KDM4E (0.63) KDM4EALDH1A1RXRAMEN1KMT2A
SCHEMBL12328697 0.70 KDM4E (0.63) KDM4EALDH1A1RXRAMEN1KMT2A

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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