SCHEMBL17845596

SCHEMBL17845596

Fc1cccc(NC2CCO[CH]C2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TRPA1 O75762 1/20 0.38
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.35
DEPTOR Q8TB45 1/20 0.34
MAOB P27338 1/20 0.33
EPHX2 P34913 1/20 0.33
ICMT O60725 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL17845543 0.84 DDB1 (0.39) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL17845686 0.84 FADS1 (0.43) MEN1KMT2ARAB9ANPC1IDO1
SCHEMBL17845628 0.84 KDM4E (0.42) KDM4ETRPA1MEN1KMT2ARAB9A
SCHEMBL17845655 0.83 TSHR (0.37) MEN1KMT2ANPC1EPHX2MAPT
SCHEMBL17845763 0.83 KDM4E (0.41) KDM4ETRPA1MEN1KMT2ARAB9A
SCHEMBL17845696 0.82 DDB1 (0.35) TRPA1MEN1KMT2ARAB9ANPC1
SCHEMBL17845760 0.82 ALDH1A1 (0.40) GAASMN1; SMN2
SCHEMBL17845537 0.80 RAB9A (0.43) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL17845768 0.77 HTT (0.38) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL17845599 0.74 MEN1 (0.33) MEN1KMT2AGAAMAPT

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