SCHEMBL23748559

SCHEMBL23748559

O=CC1C=CC=CC1(OCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR4 O00206 1/20 0.32
TLR2 O60603 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PDE1C Q14123 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL4367842 0.83 PDE1C (0.34) NPC1RAB9AMEN1KMT2ATLR4
SCHEMBL4649386 0.79 CA2 (0.37) NPC1RAB9AMEN1KMT2ATLR4
SCHEMBL9281870 0.78
SCHEMBL6710688 0.75 TSHR (0.32) MEN1KMT2AMAOAMAOB
SCHEMBL4757678 0.75 KMT2A (0.35) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL5289688 0.75 ALDH1A1 (0.36) MEN1KMT2AMAOAMAOBMAPT
SCHEMBL4390587 0.74
SCHEMBL9315430 0.70 ALDH1A1 (0.33) NPC1RAB9AMEN1KMT2ATLR4
SCHEMBL19638580 0.67 EPHX2 (0.40) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL1134295 0.66 MAPT (0.35) MEN1KMT2AMAPTSMN1; SMN2

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-3864013-A1 THYROID HORMONE RECEPTOR AGONISTS InventisBio Co., Ltd. (CN) 2021-08-18 EP disclosed