SCHEMBL28599165

SCHEMBL28599165

O=C1c2cccc3cccc(c23)C(=O)N1CCC1CNCCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
HEXA P06865 6/20 0.48
HEXB P07686 6/20 0.48
OGA O60502 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A3 Q01959 3/20 0.46
SIRT1 Q96EB6 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL8556223 0.89 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL27657033 0.87 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL28888642 0.84 CYP1B1 (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8555642 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4495927 0.82 HEXA (0.58) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL8556087 0.81 SLC6A2 (0.48) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL8555421 0.80 SLC6A2 (0.47) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8559794 0.79 TDP1 (0.48) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8559698 0.79 TDP1 (0.48) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8559087 0.79 TDP1 (0.48) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939935-A Lysosome targeted fluorescent probe, synthetic method thereof and cell imaging application 中国科学院大连化学物理研究所 2021-06-11 CN claimed
CN-112939935-B Lysosome targeted fluorescent probe, synthetic method thereof and cell imaging application 中国科学院大连化学物理研究所 2022-11-15 CN disclosed
CN-112939935-A Lysosome targeted fluorescent probe, synthetic method thereof and cell imaging application 中国科学院大连化学物理研究所 2021-06-11 CN disclosed