SCHEMBL17845555

SCHEMBL17845555

COc1ccccc1NC1CCO[C]1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL17845787 0.84 MAPT (0.40) MAPTALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL17845784 0.84 SMN1; SMN2 (0.40) MAPTALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL17845388 0.78 GAA (0.38) MAPTALDH1A1L3MBTL1SMN1; SMN2NPSR1
SCHEMBL17845490 0.74 ROCK2 (0.49) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL1645759 0.73 DRD2 (0.52) MAPTALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL19859390 0.73 BRD4 (0.48) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL1646836 0.70 LMNA (0.55) MAPTALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL17845714 0.70 SMN1; SMN2 (0.38) MAPTALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL19915073 0.69 NPSR1 (0.61) MAPTALDH1A1L3MBTL1SMN1; SMN2ALOX15
SCHEMBL17845417 0.68 DDB1 (0.43) ALDH1A1SMN1; SMN2LMNANPC1RAB9A

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