SCHEMBL31661470

SCHEMBL31661470

O=[N+]([O-])c1ccc2c(ccn2Cc2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ SLC29A1 Q99808 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP19A1 P11511 2/20 0.43
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7079553 1.00 NPC1 (0.48) NPC1HSP90AA1SLC6A2SLC29A1PAX8
SCHEMBL915161 0.90 HTR6 (0.46) SLC29A1PAX8SMN1; SMN2MAPTKDM4E
SCHEMBL7079675 0.85 SLC6A2 (0.57) NPC1HSP90AA1SLC6A2SLC29A1PAX8
SCHEMBL2263749 0.84 NPC1 (0.64) NPC1HSP90AA1PAX8PLGPLAU
SCHEMBL29263648 0.81 SLC6A2 (0.47) NPC1HSP90AA1SLC6A2PLGPLAU
SCHEMBL31035977 0.81 SLC6A2 (0.47) NPC1HSP90AA1SLC6A2PLGPLAU
SCHEMBL27083759 0.81 GLS (0.58) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL29377015 0.81 GLS (0.58) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL4201077 0.80 PLG (0.44) NPC1HSP90AA1SLC6A2PAX8PLG
SCHEMBL4194376 0.79 IDO1 (0.54) NPC1HSP90AA1SLC29A1PAX8PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151487-A2 SMALL-MOLECULE INHIBITORS OF ADAR1 REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-07-17 — — WO disclosed
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