SCHEMBL17845787

SCHEMBL17845787

COc1ccccc1NC1CCO[C]1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 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
SCHEMBL17845555 0.84 MAPT (0.43) MAPTSMN1; SMN2KMT2AALDH1A1ALOX15
SCHEMBL17845485 0.83 GAA (0.42) MAPTSMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL17845784 0.82 SMN1; SMN2 (0.40) MAPTSMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL17845726 0.80 KMT2A (0.40) MAPTSMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL17845502 0.77 MAPT (0.47) MAPTSMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL17845720 0.77 NPC1 (0.34) MAPTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL17845530 0.77 GAA (0.41) SMN1; SMN2KMT2AALDH1A1KDM4ETSHR
SCHEMBL17845700 0.73 GAA (0.46) MAPTSMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL17845380 0.73 DDB1 (0.40) MAPTSMN1; SMN2ALDH1A1
SCHEMBL1645759 0.72 DRD2 (0.52) MAPTSMN1; SMN2ALDH1A1ALOX15TSHR

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