SCHEMBL5174207

SCHEMBL5174207

Cc1cc(OCC(O)CN(C)C)c2c(=O)c3ccccc3sc2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.45
RAD52 P43351 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HCRTR1 O43613 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.41
HTR1A P08908 2/20 0.40
ABCB1 P08183 2/20 0.40
HPGD P15428 1/20 0.39
CDK4 P11802 2/20 0.38
CDK2 P24941 1/20 0.38
CYP2D6 P10635 2/20 0.38
HTR2A P28223 2/20 0.38
MAOA P21397 2/20 0.38

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
SCHEMBL9412150 0.88 NSD2 (0.42) NSD2RAD52MAPTALDH1A1POLB
Chloromethane SCHEMBL9412215 0.86 NSD2 (0.41) NSD2RAD52MAPTALDH1A1POLB
SCHEMBL3860604 0.85 HCRTR1 (0.44) NSD2RAD52MAPTALDH1A1POLB
SCHEMBL29566503 0.85 HCRTR1 (0.44) NSD2RAD52MAPTALDH1A1POLB
Chloromethane SCHEMBL1132739 0.83 HCRTR1 (0.42) NSD2RAD52MAPTALDH1A1POLB
SCHEMBL8070641 0.82 HIF1A (0.36) NSD2RAD52MAPTALDH1A1POLB
Trimethylammonium SCHEMBL3407456 0.76 MAPT (0.43) NSD2RAD52MAPTALDH1A1POLB
SCHEMBL8032089 0.75 MAPT (0.41) NSD2RAD52MAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL29991237 0.74 MAPT (0.40) NSD2RAD52MAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL1023250 0.74 MAPT (0.40) NSD2RAD52MAPTALDH1A1POLB

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-1812381-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KABUSHIKI KAISHA (JP) 2007-08-01 EP disclosed
WO-2006049264-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO K.K. (JP) 2006-05-11 WO disclosed