SCHEMBL11526249

SCHEMBL11526249

C=CCN(CC=C)Cc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
BCHE P06276 4/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 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
SCHEMBL2121111 0.96 MAPT (0.50) MAPTALDH1A1LMNAHTTKMT2A
Hydrochloric Acid SCHEMBL933510 0.94 MAPT (0.53) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL24894419 0.89 PYCR1 (0.47) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL11667015 0.85 ALDH1A1 (0.56) ALDH1A1LMNAHTTKMT2AMEN1
Hydrochloric Acid SCHEMBL859872 0.83 ESR1 (0.50) MAPTALDH1A1LMNAHTTBCHE
SCHEMBL189440 0.83 MAPT (0.60) MAPTLMNAKMT2AMEN1TAAR1
Bromide SCHEMBL20912804 0.81 MAPT (0.58) MAPTKMT2AMEN1TAAR1BCHE
Water SCHEMBL20912805 0.81 MAPT (0.58) MAPTKMT2AMEN1TAAR1BCHE
SCHEMBL194697 0.80 BCHE (0.42) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL12677859 0.77 MAPT (0.70) MAPTALDH1A1LMNAHTTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139499-A Thermally reversible amphoteric ion exchange resins of improved demineralization capacity ICI AUSTRALIA LIMITED (AU) 1979-02-13 US claimed
US-4086299-A WITH UNSATURATED CARBOXY ACID ICI AUSTRALIA LIMITED (AU) 1978-04-25 US claimed
US-4086299-A WITH UNSATURATED CARBOXY ACID ICI AUSTRALIA LIMITED (AU) 1978-04-25 US disclosed