SCHEMBL17845485

SCHEMBL17845485

COc1ccc(OC)c(NC2CCO[C]2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ENPP2 Q13822 1/20 0.41
HTT P42858 2/20 0.41
C5AR1 P21730 1/20 0.41
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SHMT2 P34897 1/20 0.39

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 0.83 MAPT (0.40) GAAKMT2ALMNAMAPTNPSR1
SCHEMBL17845700 0.80 GAA (0.46) GAAKMT2AMEN1MAPTL3MBTL1
SCHEMBL17845583 0.78 ROCK2 (0.46) KMT2ALMNAMEN1MAPTL3MBTL1
SCHEMBL17845641 0.72 LMNA (0.40) GAAKMT2ALMNAMEN1MAPT
SCHEMBL17845533 0.69 KMT2A (0.42) GAAKMT2ALMNAMEN1MAPT
SCHEMBL17845706 0.69 RAB9A (0.40) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL11647326 0.69 ENPP2 (0.56) KMT2ALMNAMEN1MAPTUSP2
SCHEMBL17845726 0.68 KMT2A (0.40) GAAKMT2AMAPTALDH1A1NPC1
SCHEMBL2585556 0.68 KMT2A (0.62) GAAKMT2ALMNAMEN1MAPT
SCHEMBL17845703 0.67 ESR1 (0.32)

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