SCHEMBL8124652

SCHEMBL8124652

Clc1ccc(OCCCc2ccnc3ncnn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ALDH3A1 P30838 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RCE1 Q9Y256 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
NSD2 O96028 1/20 0.36
NSD3 Q9BZ95 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
SCHEMBL9038287 0.93 KDM4E (0.49) KDM4EGAAGLAKCNH2ALDH1A1
SCHEMBL7789852 0.85 ALDH1A1 (0.49) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL9042210 0.76 KDM4E (0.46) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL9040174 0.74 L3MBTL1 (0.49) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL854288 0.74 ALDH1A1 (0.42) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL8125129 0.71 ALDH1A1 (0.47) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL5617361 0.68 ALDH1A1 (0.47) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL5090716 0.68 ALDH1A1 (0.47) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL7789860 0.68 ALDH1A1 (0.41) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL6619139 0.68 ALDH1A1 (0.50) KDM4EGAAGLAALDH1A1SMN1; 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-0723546-B1 1,2,4 - TRIZOLO[1,5-a]PYRIMIDINE AND THEIR USE FOR TREATMENT OF NEUROLOGICAL DISORDERS KNOLL AG (DE) 2000-01-19 EP disclosed
CN-1135754-A Therapeutic agents KNOLL AG (DE) 1996-11-13 CN disclosed