SCHEMBL5344919

SCHEMBL5344919

c1cnc2c(c1)ccc1ccc(-c3nnc(-c4cc(-c5nnc(-c6ccc7ccc8cccnc8c7n6)o5)cc(-c5nnc(-c6ccc7ccc8cccnc8c7n6)o5)c4)o3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
KDM4E B2RXH2 4/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.48
TP53 P04637 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
GMNN O75496 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MMP2 P08253 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP8 P22894 1/20 0.48
THPO P40225 1/20 0.48

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
SCHEMBL4179426 0.94 ATR (0.49) SMN1; SMN2LMNAKDM4ECCR1CCR5
SCHEMBL11987334 0.93 CCR1 (0.46) SMN1; SMN2LMNAKDM4ECCR1CCR5
SCHEMBL11987337 0.93 ATR (0.49) SMN1; SMN2LMNAKDM4ECCR1CCR5
SCHEMBL11987320 0.92 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKDM4ECCR1CCR5
SCHEMBL12445455 0.92 KDM4E (0.57) SMN1; SMN2LMNAKDM4ECCR1CCR5
SCHEMBL11987326 0.92 ATR (0.48) SMN1; SMN2LMNAKDM4ECCR1CCR5
SCHEMBL11987328 0.91 HSD17B10 (0.49) SMN1; SMN2LMNAKDM4ECCR1CCR5
SCHEMBL11987343 0.88 FABP1 (0.39) SMN1; SMN2LMNAKDM4ECCR1CCR5
SCHEMBL11987331 0.88 KDM4E (0.52) SMN1; SMN2LMNAKDM4ECCR1CCR5
SCHEMBL28098934 0.87 ATR (0.54) SMN1; SMN2LMNAKDM4ECCR1CCR5

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-7282586-B1 Dipyridine-based compound and the use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-10-16 US disclosed
US-7282586-B1 Dipyridine-based compound and the use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-10-16 US disclosed
US-7282586-B1 Dipyridine-based compound and the use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-10-16 US disclosed