SCHEMBL17845543

SCHEMBL17845543

Nc1cccc(NC2CCO[CH]C2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.39
CRBN Q96SW2 3/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DDX3X O00571 1/20 0.36
ALDH1A1 P00352 3/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
MAPK14 Q16539 2/20 0.32
POLB P06746 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR6 P50406 2/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL17845686 0.85 FADS1 (0.43) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL17845655 0.84 TSHR (0.37) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL17845596 0.84 KDM4E (0.41) MAPTMEN1GAAKMT2AKDM4E
SCHEMBL17845629 0.83 DDB1 (0.35) DDB1CRBN
SCHEMBL17845760 0.83 ALDH1A1 (0.40) DDB1CRBNLMNAGAAGFER
SCHEMBL17845537 0.81 RAB9A (0.43) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL17845768 0.78 HTT (0.38) MAPTMEN1LMNAKMT2AKDM4E
SCHEMBL17845622 0.75 SMN1; SMN2 (0.40) LMNAGAATDP1ALDH1A1POLB
SCHEMBL17845599 0.75 MEN1 (0.33) MAPTMEN1GAAKMT2A
SCHEMBL17845759 0.74 ALDH1A1 (0.35) MAPTMEN1GAAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233860-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS Univerzita Palackého V Olomouci (CZ) 2017-10-25 EP disclosed
WO-2016095881-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-23 WO disclosed