SCHEMBL9562062

SCHEMBL9562062

O=C(Cl)OC(c1ccc2c(c1)OCO2)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
MGLL Q99685 1/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
MAPK9 P45984 1/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.40

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
Methane SCHEMBL28340880 0.99 MAPT (0.42) MAPTGAAMGLLKMT2ARAB9A
SCHEMBL2298417 0.88 GAA (0.46) MAPTGAAMGLLKMT2ARAB9A
SCHEMBL28168165 0.86 MAPT (0.44) MAPTGAAMGLLKMT2ARAB9A
Methane SCHEMBL2042661 0.85 MAPT (0.43) MAPTGAAMGLLKMT2ARAB9A
SCHEMBL15049955 0.82 MAPT (0.45) MAPTGAAKMT2ARAB9AMEN1
SCHEMBL636949 0.81 RAB9A (0.44) MAPTGAAMGLLKMT2ARAB9A
SCHEMBL14829845 0.80 KMT2A (0.45) MAPTGAAMGLLKMT2ARAB9A
SCHEMBL636948 0.78 RAB9A (0.41) MAPTGAAMGLLKMT2ARAB9A
SCHEMBL9392816 0.75 RAB9A (0.46) MAPTGAAMGLLKMT2ARAB9A
SCHEMBL8874113 0.72 MAPK9 (0.48) MAPTGAAMGLLKMT2ARAB9A

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