SCHEMBL9010824

SCHEMBL9010824

O=c1nc(-c2cc(Cl)ccc2OP(=O)(O)O)[nH]c2ccc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
AMY1A P0DUB6 5/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CASP1 P29466 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34

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
SCHEMBL1232936 0.81 TNKS (0.49) AMY1AMEN1KMT2AKDM4EHDAC6
SCHEMBL29351150 0.81 TNKS (0.49) AMY1AMEN1KMT2AKDM4EHDAC6
Ammonia Solution, Strong SCHEMBL9010745 0.80 TNKS (0.48) AMY1AMEN1KMT2AKDM4EHDAC6
SCHEMBL3660038 0.80 TNKS (0.48) AMY1AMEN1KMT2AKDM4EHDAC6
SCHEMBL14141938 0.78 HDAC6 (0.51) PTGESAMY1ACA12CA9MEN1
SCHEMBL2372869 0.76 PTGES (0.51) PTGESMEN1KMT2AKDM4ECASP1
SCHEMBL30918933 0.70 LMNA (0.53) PTGESCA12CA9MEN1KMT2A
SCHEMBL3660037 0.69 GUSB (0.48) AMY1AKDM4ECYP1A2HPGD
SCHEMBL9010793 0.68 PDE2A (0.47) MEN1KMT2AKDM4EHSD17B10LMNA
SCHEMBL27960056 0.68 F7 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160017402-A1 Method and apparatus utilizing enzyme substrates producing slow diffusing fluorescent product appearances and chromogens, and use in combination with fast diffusing product appearances ROTH GEOFFREY N (US) 2016-01-21 US disclosed
US-20120225449-A1 Method and appraratus utilizing enzyme substrates producing slow diffusing fluorescent product appearances and chromogens, and use in combination with fast diffusing product appearances ROTH GEOFFREY N (US) 2012-09-06 US disclosed
EP-0641351-B1 ENZYMATIC ANALYSIS USING SUBSTRATES THAT YIELD FLUORESCENT PRECIPITATES MOLECULAR PROBES INC (US) 1996-10-23 EP disclosed
EP-0641351-A1 ENZYMATIC ANALYSIS USING SUBSTRATES THAT YIELD FLUORESCENT PRECIPITATES. MOLECULAR PROBES INC (US) 1995-03-08 EP disclosed
US-5316906-A Fluorescent dyes for substrates MOLECULAR PROBES, INC. (US) 1994-05-31 US disclosed
WO-1993004077-A1 ENZYMATIC ANALYSIS USING SUBSTRATES THAT YIELD FLUORESCENT PRECIPITATES MOLECULAR PROBES, INC. (US) 1993-03-04 WO disclosed