SCHEMBL17845700

SCHEMBL17845700

COc1ccc(NC2CCO[C]2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 9/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
POLB P06746 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
SCHEMBL17845604 0.83 GAA (0.47) GAATSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL17845583 0.82 ROCK2 (0.46) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL17845534 0.82 POLB (0.42) GAAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL17845446 0.81 GAA (0.46) GAATSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL17845485 0.80 GAA (0.42) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL17845598 0.79 ALDH1A1 (0.36) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL17845761 0.79 DDB1 (0.43) GAAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL17845595 0.79 DDB1 (0.43) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL17845380 0.78 DDB1 (0.40) MAPTALDH1A1SMN1; SMN2
SCHEMBL2563095 0.70 ALDH1A1 (0.55) GAATSHRMAPTALDH1A1SMN1; 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