SCHEMBL7475041

SCHEMBL7475041

Nc1nccn1-c1ccccc1C(=O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ SARM1 Q6SZW1 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ SIRT4 Q9Y6E7 1/20 0.42
▸ F12 P00748 2/20 0.42
▸ F2 P00734 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ APP P05067 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HCAR3 P49019 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL7470949 0.85 KDM4E (0.49) ALDH1A1GAAPOLBPLOD2MEN1
SCHEMBL7475318 0.81 MAPK14 (0.42) F12F2ALDH1A1GAAPOLB
SCHEMBL7474375 0.80 MAPK14 (0.43) SMN1; SMN2GAAPOLBMEN1MAPT
SCHEMBL7471290 0.77 ALDH1A1 (0.41) ALDH1A1MAPTCDK2
SCHEMBL7469629 0.77 KMT2A (0.44) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL7477253 0.74 KDM4E (0.49) SMN1; SMN2ALDH1A1GAAPOLBMAPT
SCHEMBL6950942 0.74 GAA (0.65) F7F3SARM1SIRT2SIRT6
SCHEMBL7471841 0.73 MAPK14 (0.44) SMN1; SMN2ALDH1A1GAAHDAC1POLB
SCHEMBL7473148 0.73 MAPK14 (0.44) ALDH1A1GAAHDAC1POLBMAPT
SCHEMBL7474779 0.73 ALDH1A1 (0.45) ALDH1A1POLBMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 — — EP disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 — — CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 — — EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 — — WO disclosed
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