SCHEMBL17845530

SCHEMBL17845530

Fc1ccccc1NC1CCO[C]1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
KMT2A Q03164 3/20 0.34
P2RX7 Q99572 1/20 0.34
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PKM P14618 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL17845386 0.88 ROCK2 (0.36) GAAKDM4EP2RX7
SCHEMBL17845726 0.83 KMT2A (0.40) GAANPC1RAB9AKMT2AP2RX7
SCHEMBL17845569 0.81 GAA (0.38) GAAPOLBNPC1RAB9AKMT2A
SCHEMBL17845720 0.81 NPC1 (0.34) GAAPOLBNPC1RAB9AKMT2A
SCHEMBL17845502 0.81 MAPT (0.47) GAAKDM4ERAB9AKMT2AMEN1
SCHEMBL17845388 0.81 GAA (0.38) GAAKDM4EPOLBNPC1RAB9A
SCHEMBL17845762 0.79 EPHX2 (0.36) KMT2AP2RX7EPHX2ALDH1A1TAS1R3
SCHEMBL17845787 0.77 MAPT (0.40) GAAKDM4ENPC1RAB9AKMT2A
SCHEMBL17845380 0.76 DDB1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL17845595 0.73 DDB1 (0.43) POLBNPC1RAB9AP2RX7SMN1; SMN2

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