SCHEMBL7908892

SCHEMBL7908892

O=[N+]([O-])c1cccc2oc(Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.45
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR35 Q9HC97 1/20 0.41
MAPK1 P28482 2/20 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
SCHEMBL28052403 0.81 PDE10A (0.50) PDE10AKMT2AMEN1TDP1ALDH1A1
SCHEMBL1121403 0.79 PDE10A (0.49) PDE10AKMT2AMEN1TDP1ALDH1A1
SCHEMBL3173439 0.79 TDP1 (0.50) PDE10AKMT2AMEN1TDP1ALDH1A1
SCHEMBL26907309 0.79 MEN1 (0.53) PDE10AKMT2AMEN1TDP1ALDH1A1
SCHEMBL3040780 0.79 PDE10A (0.45) PDE10AKMT2AMEN1TDP1ALDH1A1
SCHEMBL11128056 0.78 KMT2A (0.44) PDE10AKMT2AMEN1TDP1ALDH1A1
SCHEMBL28315154 0.77 PDE10A (0.46) PDE10AKMT2AMEN1TDP1ALDH1A1
SCHEMBL13425980 0.76 PDE10A (0.45) PDE10AKMT2AMEN1TDP1ALDH1A1
SCHEMBL3192292 0.76 F2RL3 (0.46) PDE10AKMT2AMEN1TDP1ALDH1A1
SCHEMBL1121431 0.76 TDP1 (0.49) PDE10AKMT2AMEN1TDP1ALDH1A1

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
US-6225127-B1 DETECTION, DETERMINATION, AND QUANTITATION OF CERTAIN ANIONS INVOLVING THE QUENCHING OF A FLUORESCENT LABEL ATTACHED TO A METALLOENZYME DUE TO FLUORESCENCE ENERGY TRANSFER TO A COLORED INHIBITOR UNIVERSITY OF MARYLAND, BALTIMORE 2001-05-01 US disclosed
US-6197258-B1 DETECTOR FOR DETERMINING AQUEOUS METAL ION CONCENTRATION INCLUDING A PHOTOLUMINESCENT LABEL BOUND TO AN ANALYTE BINDING MACROMOLECULE OF HUMAN APOCARBONIC ANHYDRASE OR DERIVATIVE UNIVERSITY OF MARYLAND, BALTIMORE 2001-03-06 US disclosed
US-5952236-A Enzyme-based fluorescence biosensor for chemical analysis PATCHAN, MARCIA W. 1999-09-14 US disclosed