SCHEMBL9562071

SCHEMBL9562071

O=C(Cl)OC(=O)c1ccc2c(c1)OC([N+](=O)[O-])O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.35
NPC1 O15118 7/20 0.35
MAPT P10636 6/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
P2RY6 Q15077 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 3/20 0.33
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
OPRM1 P35372 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
VCAM1 P19320 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 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
SCHEMBL5552767 0.74 MAPT (0.42) RAB9ANPC1MAPTMEN1KMT2A
Methane SCHEMBL3489699 0.72 ALDH1A1 (0.41) RAB9AMAPTMEN1KMT2APOLB
SCHEMBL3489695 0.71 PTGS2 (0.31) RAB9AMAPTMEN1KMT2AGAA
SCHEMBL4399328 0.68 ALDH1A1 (0.63) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6656414 0.68 CA1 (0.41) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL67998 0.66 P2RY6 (0.33) P2RY6ADRA2ADRD5
SCHEMBL9392813 0.66 P2RY6 (0.41) MAPTP2RY6ALDH1A1DRD5SMN1; SMN2
SCHEMBL28557806 0.65 ALOX5 (0.50) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL3200612 0.64 P2RY6 (0.41) RAB9ANPC1MEN1KMT2AP2RY6
SCHEMBL472055 0.63 NPC1 (0.37) RAB9ANPC1MAPTP2RY6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502060-A4 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES 1993-05-05 EP disclosed
EP-0502060-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-09 EP disclosed
WO-1991007087-A1 SPATIALLY-ADDRESSABLE IMMOBILIZATION OF ANTI-LIGANDS ON SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1991-05-30 WO disclosed