SCHEMBL17845575

SCHEMBL17845575

N[C]1OCCC1Nc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TRPA1 O75762 1/20 0.42
ROCK2 O75116 3/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
MAOB P27338 1/20 0.37
DDB1 Q16531 3/20 0.37
CRBN Q96SW2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL17845602 0.84 KDM4E (0.44) KDM4ETRPA1ROCK2NPC1RAB9A
SCHEMBL17845650 0.82 FADS1 (0.50) NPC1RAB9AMAOBDDB1CRBN
SCHEMBL17845573 0.82 KMT2A (0.39) NPC1DDB1CRBNMEN1KMT2A
SCHEMBL4318982 0.82 KDM4E (0.43) KDM4ETRPA1ROCK2NPC1RAB9A
SCHEMBL17845497 0.82 KDM4E (0.43) KDM4ETRPA1ROCK2NPC1RAB9A
SCHEMBL17845417 0.81 DDB1 (0.43) KDM4ETRPA1NPC1RAB9AMAOB
SCHEMBL17845490 0.79 ROCK2 (0.49) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL17845466 0.74 ALDH1A1 (0.42) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL17845388 0.72 GAA (0.38) KDM4EROCK2NPC1RAB9AMEN1
SCHEMBL1803049 0.71 KDM4E (0.66) KDM4ETRPA1NPC1RAB9AMEN1

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