SCHEMBL8070641

SCHEMBL8070641

Cc1c(OCC(O)CN(C)C)c(CCl)c2c(=O)c3ccccc3sc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.36
MAPT P10636 5/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
RAD52 P43351 2/20 0.36
NSD2 O96028 1/20 0.36
LMNA P02545 2/20 0.34
HCRTR1 O43613 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 3/20 0.34
MAOA P21397 3/20 0.34
CHRM2 P08172 2/20 0.34
ADRA2A P08913 2/20 0.34
CHRM1 P11229 2/20 0.34
TBXA2R P21731 2/20 0.34
SLC6A2 P23975 2/20 0.34
APEX1 P27695 2/20 0.34

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
SCHEMBL5174207 0.82 NSD2 (0.45) HIF1AMAPTPOLBALDH1A1KMT2A
Chloromethane SCHEMBL1132739 0.81 HCRTR1 (0.42) HIF1AMAPTPOLBALDH1A1RAD52
SCHEMBL3860604 0.81 HCRTR1 (0.44) HIF1AMAPTPOLBALDH1A1RAD52
SCHEMBL29566503 0.81 HCRTR1 (0.44) HIF1AMAPTPOLBALDH1A1RAD52
Chloromethane SCHEMBL9412215 0.80 NSD2 (0.41) HIF1AMAPTPOLBALDH1A1KMT2A
SCHEMBL9412150 0.79 NSD2 (0.42) HIF1AMAPTPOLBALDH1A1KMT2A
SCHEMBL8034051 0.78 MAPT (0.38) HIF1AMAPTPOLBALDH1A1KMT2A
Hydrochloric Acid SCHEMBL29381615 0.76 MAPT (0.39) HIF1AMAPTPOLBALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1022456 0.76 MAPT (0.39) HIF1AMAPTPOLBALDH1A1KMT2A
Trimethylammonium SCHEMBL3407456 0.73 MAPT (0.43) MAPTPOLBALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242140-A Ultraviolet-curable aqueous ink, dispersion, ultraviolet-curable aqueous composition, and printed matter 三菱化学株式会社 2023-12-15 CN disclosed
CN-117178033-A Ultraviolet-curable aqueous ink, dispersion, ultraviolet-curable aqueous composition, and printed matter 三菱化学株式会社 2023-12-05 CN disclosed
CN-116368167-A Active energy ray-curable composition, aqueous emulsion composition, laminate, and coating agent composition 三菱化学株式会社 2023-06-30 CN disclosed
EP-0678534-B1 Gels having thermotropic properties BASF AG (DE) 2000-06-28 EP disclosed