SCHEMBL20718365

SCHEMBL20718365

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ ERBB2 P04626 1/20 0.45
▸ INSR P06213 1/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ THRB P10828 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ RXRA P19793 1/20 0.42
▸ APP P05067 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ RAD52 P43351 1/20 0.40

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
SCHEMBL20718563 0.89 KDM4E (0.52) KDM4EALDH1A1INSRMEN1KMT2A
SCHEMBL20718569 0.79 INSR (0.49) KDM4EALDH1A1ERBB2INSRMEN1
SCHEMBL20718565 0.79 INSR (0.49) KDM4EALDH1A1ERBB2INSRMEN1
SCHEMBL20718363 0.75 INSR (0.49) KDM4EALDH1A1ERBB2INSRMEN1
SCHEMBL20718359 0.73 INSR (0.46) KDM4EALDH1A1ERBB2INSRMEN1
SCHEMBL19918086 0.73 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1199113 0.68 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL12328697 0.68 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6545560 0.68 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL17322556 0.68 INSR (0.75) ALDH1A1INSRMEN1KMT2AMAPT

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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