SCHEMBL18768622

SCHEMBL18768622

C/N=N/c1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 3/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSP90AA1 P07900 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL18434417 0.81 KDM4E (0.50) KDM4ELMNAMAPTHTTCCR1
SCHEMBL21686481 0.80 PSMD14 (0.47) KDM4ELMNAMAPTHTTCCR1
SCHEMBL17709420 0.79 KDM4E (0.48) KDM4ELMNAMAPTHTTCCR1
SCHEMBL17709421 0.79 KDM4E (0.48) KDM4ELMNAMAPTHTTCCR1
SCHEMBL29419886 0.77 MMP2 (0.61) KDM4ELMNAMAPTHTTCCR1
SCHEMBL16469239 0.77 MMP2 (0.61) KDM4ELMNAMAPTHTTCCR1
SCHEMBL11581594 0.76 KDM4E (0.54) KDM4ELMNAMAPTHTTCCR1
SCHEMBL8581634 0.76 KDM4E (0.54) KDM4ELMNAMAPTHTTCCR1
SCHEMBL11581590 0.76 KDM4E (0.54) KDM4ELMNAMAPTHTTCCR1
SCHEMBL21686716 0.73 MMP2 (0.51) KDM4ELMNAMAPTHTTCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362518-B1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS THE UWM RES FOUNDATION INC (US) 2022-04-27 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