SCHEMBL9296337

SCHEMBL9296337

O=C(O)c1cc(=O)cc2oc3ccc(Cl)cc3nc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
GPR35 Q9HC97 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CASP3 P42574 3/20 0.46
SENP7 Q9BQF6 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SENP6 Q9GZR1 1/20 0.46
JAK2 O60674 1/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 4/20 0.43
THRB P10828 2/20 0.43

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
SCHEMBL9833606 0.81 GAA (0.44) KCNH2GAAMEN1KMT2AKDM4E
SCHEMBL13180208 0.81 ESR1 (0.45) KCNH2GAAMEN1KMT2AKDM4E
SCHEMBL9819995 0.78 AGPAT2 (0.44) KCNH2GAAMEN1KMT2AALDH1A1
SCHEMBL31500937 0.77 APP (0.57) MEN1KMT2AL3MBTL1POLB
Bicarbonate SCHEMBL10758552 0.77 APP (0.56) KCNH2GAAMEN1KMT2AKDM4E
SCHEMBL3640007 0.72 MEN1 (0.56) KCNH2GAAMEN1KMT2AKDM4E
SCHEMBL29825622 0.72 MEN1 (0.56) KCNH2GAAMEN1KMT2AKDM4E
SCHEMBL10351907 0.70 HSD17B10 (0.41) KCNH2GAAMEN1KMT2AKDM4E
SCHEMBL10728044 0.70 MAPT (0.68) KCNH2GAAMEN1KMT2AKDM4E
SCHEMBL27654631 0.69 MAPT (0.58) KCNH2GAAMEN1KMT2AKDM4E

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-5304645-A Colored or fluorescent labels BOEHRINGER MANNHEIM GMBH (DE) 1994-04-19 US disclosed
US-4954630-A COLORIMETRIC OR FLUORESCENT ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed
US-4737466-A N-acyldihydroresorufin derivatives, processes for their preparation, reagents containing them and the use thereof for determining hydrogen peroxide, peroxidate-acting compounds or peroxidase BOEHRINGER MANNHEIM GMBH (DE) 1988-04-12 US disclosed