SCHEMBL7120858

SCHEMBL7120858

Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1.O=C(O)N(O)N1C(=O)CCC1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
GAA P10253 2/20 0.64
HPGD P15428 2/20 0.64
CASP1 P29466 2/20 0.64
CASP7 P55210 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TLR9 Q9NR96 2/20 0.64
MEN1 O00255 1/20 0.64
SRC P12931 1/20 0.64
KMT2A Q03164 1/20 0.64
ATM Q13315 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HSD17B3 P37058 1/20 0.48
AGER Q15109 2/20 0.46
MAP2K1 Q02750 1/20 0.45
AR P10275 5/20 0.44
MCL1 Q07820 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 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
SCHEMBL7120862 0.84 ALDH1A1 (0.61) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL144309 0.80 KDM4E (1.00) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL29356441 0.80 KDM4E (1.00) KDM4EALDH1A1GAAHPGDCASP1
Glycine SCHEMBL9259892 0.78 KDM4E (0.79) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL9297256 0.78 KMT2A (0.62) KDM4EALDH1A1GAAHPGDCASP1
Alanine SCHEMBL15556780 0.76 KDM4E (0.75) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL7116354 0.71 PARP1 (0.37) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL7973305 0.69 KDM4E (0.77) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL1771156 0.69 KDM4E (0.77) KDM4EALDH1A1GAAHPGDCASP1
Proline SCHEMBL28395374 0.68 TLR9 (0.57) KDM4EALDH1A1GAAHPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6632629-B2 Microfluidic in-line labeling method of continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2003-10-14 US claimed
US-20030064425-A1 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2003-04-03 US claimed
US-6468761-B2 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES, CORP. 2002-10-22 US claimed
US-20010026929-A1 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2001-10-04 US claimed
EP-0533200-A1 Preparation and use of novel activated carbamates WATERS INVESTMENTS LIMITED (US) 1993-03-24 EP claimed
US-6632629-B2 Microfluidic in-line labeling method of continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2003-10-14 US disclosed
US-20030064425-A1 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2003-04-03 US disclosed
US-6468761-B2 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES, CORP. 2002-10-22 US disclosed
US-20010026929-A1 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2001-10-04 US disclosed