SCHEMBL7487397

SCHEMBL7487397

Nc1cccnc1Nc1cccc(C=Cc2cc[n+]([O-])cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TLR4 O00206 3/20 0.41
TLR2 O60603 3/20 0.41
NPC1 O15118 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PDE10A Q9Y233 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL7487390 1.00 CA12 (0.43) CA12CA1CA2CA9TLR4
SCHEMBL7488129 0.88 CA12 (0.44) CA12CA1CA2CA9TLR4
SCHEMBL7488132 0.88 CA12 (0.44) CA12CA1CA2CA9TLR4
SCHEMBL6796866 0.87 CYP19A1 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL6796859 0.87 CYP19A1 (0.47) CA12CA1CA2CA9TLR4
SCHEMBL6796987 0.85 NPC1 (0.55) CA12CA1CA2CA9TLR4
SCHEMBL6796992 0.85 NPC1 (0.55) CA12CA1CA2CA9TLR4
SCHEMBL7358953 0.81 TLR4 (0.48) TLR4TLR2NPC1MAPTHTT
SCHEMBL7490447 0.81 TLR4 (0.48) TLR4TLR2NPC1MAPTHTT
SCHEMBL6793312 0.81 TLR4 (0.47) CA12CA1CA2CA9TLR4

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-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed