SCHEMBL26397649

SCHEMBL26397649

O=C(OCCS)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
IDO1 P14902 2/20 0.50
RAB9A P51151 2/20 0.50
AKR1C3 P42330 1/20 0.49
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL37664 0.89 HTR2A (0.62) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL6778096 0.86 HTR2A (0.54) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL11199226 0.85 HTR2A (0.56) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL11000854 0.85 HTR2A (0.53) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL10732801 0.84 HTR2A (0.55) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL6645015 0.83 RAB9A (0.61) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL9472819 0.82 HTR2A (0.51) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL11204688 0.82 HTR2A (0.57) HTR2AIDO1RAB9AHTTALDH1A1
SCHEMBL4725847 0.82 HTR2A (0.59) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL1029307 0.82 HTR2A (0.59) HTR2AIDO1RAB9AAKR1C3HTT

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
US-20230313030-A1 PHOTOACTIVE ORGANIC LIGANDS AND METHODS FOR RADIATION PATTERNING OF NANOPARTICLES FOR FORMATION OF HIGH QUANTUM YIELD DOWNCONVERTER MATERIALS NanoPattern Technologies, Inc. 2023-10-05 US disclosed