SCHEMBL9412150

SCHEMBL9412150

Cc1ccc(OCC(O)CN(C)C)c2sc3ccccc3c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.42
RAD52 P43351 1/20 0.42
HTR1A P08908 3/20 0.41
MAPT P10636 4/20 0.41
APP P05067 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
APEX1 P27695 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
Chloromethane SCHEMBL9412215 0.98 NSD2 (0.41) NSD2RAD52HTR1AMAPTAPP
SCHEMBL5174207 0.88 NSD2 (0.45) NSD2RAD52HTR1AMAPTAPP
SCHEMBL8032089 0.87 MAPT (0.41) NSD2RAD52HTR1AMAPTAPP
Hydrochloric Acid SCHEMBL29991237 0.86 MAPT (0.40) NSD2RAD52HTR1AMAPTAPP
Hydrochloric Acid SCHEMBL1023250 0.86 MAPT (0.40) NSD2RAD52HTR1AMAPTAPP
SCHEMBL3860604 0.82 HCRTR1 (0.44) NSD2RAD52HTR1AMAPTABCB1
SCHEMBL29566503 0.82 HCRTR1 (0.44) NSD2RAD52HTR1AMAPTABCB1
Chloromethane SCHEMBL1132739 0.80 HCRTR1 (0.42) NSD2RAD52HTR1AMAPTABCB1
SCHEMBL8070641 0.79 HIF1A (0.36) NSD2RAD52HTR1AMAPTAPP
SCHEMBL18202638 0.79 MAPT (0.46) NSD2RAD52HTR1AMAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590890-A2 Urethane acrylates and methacrylates and compostions containing them SERICOL LIMITED (GB) 1994-04-06 EP disclosed