SCHEMBL17845534

SCHEMBL17845534

Cl[C]1OCCC1Nc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
HPGD P15428 2/20 0.34
MAP3K14 Q99558 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL17845761 0.86 DDB1 (0.43) POLBALDH1A1RAB9AMAPTGAA
SCHEMBL17845598 0.86 ALDH1A1 (0.36) POLBTRPA1ALDH1A1MEN1MAPT
SCHEMBL17845595 0.86 DDB1 (0.43) POLBTRPA1SMN1; SMN2RAB9ANPC1
SCHEMBL17845380 0.85 DDB1 (0.40) TRPA1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10977584 0.82 POLB (0.40) POLBSMN1; SMN2ALDH1A1HDAC1HDAC8
SCHEMBL17845700 0.82 GAA (0.46) POLBSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL17845348 0.80 FADS1 (0.52) POLBSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL17845706 0.76 RAB9A (0.40) SMN1; SMN2ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL17845623 0.75 DDB1 (0.47) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL17845497 0.74 KDM4E (0.43) TRPA1SMN1; SMN2RAB9ANPC1HPGD

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