SCHEMBL17845388

SCHEMBL17845388

N[C]1OCCC1Nc1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.35
KMT2A Q03164 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK14 Q16539 1/20 0.33
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL17845530 0.81 GAA (0.41) GAAKDM4EPOLBKMT2ANPC1
SCHEMBL17845555 0.78 MAPT (0.43) GAAKMT2ANPC1RAB9AMEN1
SCHEMBL17845417 0.73 DDB1 (0.43) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL17845575 0.72 KDM4E (0.43) GAAKDM4EKMT2ANPC1RAB9A
SCHEMBL6426045 0.69 GAA (0.60) GAAKDM4EPOLBKMT2ANPC1
SCHEMBL29740616 0.69 GAA (0.60) GAAKDM4EPOLBKMT2ANPC1
SCHEMBL17845386 0.69 ROCK2 (0.36) GAAKDM4EROCK2
SCHEMBL17845784 0.68 SMN1; SMN2 (0.40) GAANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17845502 0.68 MAPT (0.47) GAAKDM4EKMT2ARAB9AMEN1
Hydrochloric Acid SCHEMBL1936838 0.67 GAA (0.58) GAAKDM4EPOLBKMT2ANPC1

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