SCHEMBL9944053

SCHEMBL9944053

CCCCCc1nnn(CCCCC)c1CCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
MAOB P27338 1/20 0.37
HCAR3 P49019 2/20 0.36
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TOP2A P11388 1/20 0.33
MAPT P10636 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HSD11B1 P28845 1/20 0.32
MAOA P21397 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5281801 0.95 SLC9A1 (0.45) SLC9A1MAOBHCAR3GRM2ALDH1A1
SCHEMBL5280775 0.91 SLC9A1 (0.42) SLC9A1MAOBHCAR3GRM2TOP2A
SCHEMBL5279198 0.89 SLC9A1 (0.44) SLC9A1MAOBHCAR3GRM2ALDH1A1
SCHEMBL5275928 0.89 SLC9A1 (0.44) SLC9A1MAOBHCAR3GRM2ALDH1A1
SCHEMBL5282492 0.87 SLC9A1 (0.45) SLC9A1MAOBHCAR3GRM2ALDH1A1
SCHEMBL5282446 0.87 MAOB (0.41) SLC9A1MAOBHCAR3GRM2ALDH1A1
SCHEMBL11376520 0.87 MAOB (0.35) SLC9A1MAOBALDH1A1MAOAMEN1
SCHEMBL5283445 0.86 SLC9A1 (0.44) SLC9A1MAOBHCAR3GRM2ALDH1A1
SCHEMBL5284456 0.86 SLC9A1 (0.44) SLC9A1MAOBHCAR3GRM2ALDH1A1
SCHEMBL5282929 0.85 SLC9A1 (0.41) SLC9A1MAOBHCAR3GRM2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110462448-B Hydrophilic material with high refractive index 宾视研发公司 2023-08-01 CN disclosed
CN-110891618-B Microinjectable, low color aberration intraocular lens materials 宾视研发公司 2023-01-03 CN disclosed
CN-110891618-A Microinjectable, low color aberration intraocular lens materials 宾视研发公司 2020-03-17 CN disclosed
EP-2464635-B1 COPPER CATALYZED CYCLOADDITION OF ORGANIC AZIDES AND 1-HALOALKYNES SCRIPPS RESEARCH INST (US) 2015-09-16 EP disclosed
EP-2464635-A2 COPPER CATALYZED CYCLOADDITION OF ORGANIC AZIDES AND 1-HALOALKYNES The Scripps Research Institute (US) 2012-06-20 EP disclosed