SCHEMBL16469239

SCHEMBL16469239

Oc1ccccc1N=Nc1cccc2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.61
TSHR P16473 2/20 0.61
CHRM1 P11229 1/20 0.61
COMT P21964 1/20 0.61
ADRA1A P35348 1/20 0.61
METAP2 P50579 1/20 0.61
METAP1 P53582 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
MEN1 O00255 11/20 0.55
KMT2A Q03164 11/20 0.55
MAPT P10636 8/20 0.55
KDM4E B2RXH2 6/20 0.55
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
HTT P42858 4/20 0.55
NPC1 O15118 3/20 0.55
ALOX12 P18054 2/20 0.53
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 5/20 0.47
NFKB1 P19838 3/20 0.47

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
SCHEMBL29419886 1.00 MMP2 (0.61) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL21686716 0.85 MMP2 (0.51) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL18741239 0.84 LMNA (0.50) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL18741240 0.84 LMNA (0.50) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL21686788 0.81 TSHR (0.50) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL21686717 0.81 MAPT (0.63) MMP2TSHRCHRM1COMTADRA1A
Oxyquinoline SCHEMBL27989592 0.79 TSHR (0.95) MMP2TSHRCHRM1COMTADRA1A
Oxyquinoline SCHEMBL12492889 0.77 TSHR (0.91) MMP2TSHRCHRM1COMTADRA1A
Oxyquinoline SCHEMBL37189 0.77 TSHR (1.00) MMP2TSHRCHRM1COMTADRA1A
Oxyquinoline SCHEMBL253313 0.77 TSHR (1.00) MMP2TSHRCHRM1COMTADRA1A

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-3362518-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS The UWM Research Foundation, Inc (US) 2018-08-22 EP disclosed
WO-2017066672-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS UWM RESEARCH FOUNDATION, INC. (US) 2017-04-20 WO disclosed
US-20150050592-A1 TONER FOR ELECTROSTATIC CHARGE IMAGE DEVELOPMENT, METHOD OF MANUFACTURING THE SAME, AND IMAGE FORMING METHOD Konica Minolta, Inc. (JP) 2015-02-19 US disclosed