SCHEMBL17845600

SCHEMBL17845600

FC1[CH]OCCC1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
RECQL P46063 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL17845778 0.85 DDB1 (0.36) SMN1; SMN2LMNATRPA1DDB1CRBN
SCHEMBL17845492 0.83 ALDH1A1 (0.35) ALDH1A1GAA
SCHEMBL17845628 0.83 KDM4E (0.42) ALDH1A1SMN1; SMN2GAATRPA1
SCHEMBL17845512 0.82 FADS1 (0.42) ALDH1A1LMNA
SCHEMBL17845659 0.82 TSHR (0.37) ALDH1A1LMNARECQL
SCHEMBL17845587 0.80 GAA (0.39) ALDH1A1SMN1; SMN2GAARECQL
SCHEMBL17845669 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAGAADDB1
SCHEMBL17845760 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAGAADDB1
SCHEMBL17845581 0.78 RAB9A (0.43) ALDH1A1SMN1; SMN2LMNA
SCHEMBL17845582 0.78 KMT2A (0.42) ALDH1A1SMN1; SMN2

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