SCHEMBL22453701

SCHEMBL22453701

CN(c1ccc(N)cc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 6/20 0.50
GAA P10253 5/20 0.50
KMT2A Q03164 4/20 0.50
GFER P55789 4/20 0.50
ADRA2C P18825 1/20 0.50
PTK2B Q14289 1/20 0.50
ESR2 Q92731 1/20 0.50
LMNA P02545 2/20 0.48
SLC2A1 P11166 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LGMN Q99538 2/20 0.47
HTT P42858 4/20 0.47
MEN1 O00255 3/20 0.47
USP2 O75604 2/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47

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
SCHEMBL20631313 0.87 LMNA (0.61) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL20631 0.85 MAPT (0.61) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL22452584 0.84 ALDH1A1 (0.69) MAPTALDH1A1KDM4EGAAKMT2A
Hydrochloric Acid SCHEMBL16209945 0.83 MAPT (0.65) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL17602226 0.83 GAA (0.49) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL29331438 0.80 LMNA (0.52) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL14320289 0.80 PIK3R1 (0.59) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL9094196 0.80 SLC2A1 (0.67) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL4386393 0.78 MAPT (0.64) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL13370287 0.76 MAPT (0.50) MAPTALDH1A1KDM4EGAAKMT2A

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed