SCHEMBL17845587

SCHEMBL17845587

COc1ccc(NC2CCO[CH]C2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL17845581 0.83 RAB9A (0.43) MAPTNPC1RAB9AMAPK1L3MBTL1
SCHEMBL17845612 0.82 HPGD (0.38) GAAMAPTHPGDNPC1RAB9A
SCHEMBL17845717 0.82 MAPK1 (0.39) GAAMAPTHPGDNPC1RAB9A
SCHEMBL17845764 0.80 SMN1; SMN2 (0.40) GAAHPGDNPC1RAB9ATDP1
SCHEMBL17845533 0.80 KMT2A (0.42) GAAMAPTMAPK1KDM4ENPSR1
SCHEMBL17845600 0.80 ALDH1A1 (0.40) GAARECQLALDH1A1SMN1; SMN2
SCHEMBL17845593 0.74 TAS1R3 (0.40) GAAMAPTNPC1RAB9ANPSR1
SCHEMBL17845550 0.72 SYK (0.38) HPGDNPC1RAB9AKDM4ETDP1
SCHEMBL23694353 0.71 GAA (0.48) GAAMAPTNPC1RAB9AMAPK1
SCHEMBL17845628 0.71 KDM4E (0.42) GAANPC1RAB9AKDM4ETDP1

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