SCHEMBL7471841

SCHEMBL7471841

Nc1nccn1-c1ccc(F)cc1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.44
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TNK2 Q07912 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL7471362 0.92 LTA4H (0.40) MAPK14NPC1RAB9AALDH1A1HTT
SCHEMBL7473148 0.90 MAPK14 (0.44) MAPK14NPC1RAB9AMAPTGAA
SCHEMBL7477253 0.86 KDM4E (0.49) MAPK14MAPTGAAALDH1A1HTT
SCHEMBL7475152 0.86 MAPK14 (0.44) MAPK14NPC1RAB9AMAPTGAA
SCHEMBL7473758 0.85 ALDH1A1 (0.54) MAPTALDH1A1HTTMITFHSP90AA1
SCHEMBL7475318 0.85 MAPK14 (0.42) MAPK14NPC1RAB9AMAPTGAA
SCHEMBL7470913 0.84 HTT (0.41) MAPTGAAALDH1A1HTTPOLB
SCHEMBL7474375 0.84 MAPK14 (0.43) MAPK14NPC1RAB9AMAPTGAA
SCHEMBL11810248 0.83 PDE4A (0.42) MAPK14NPC1RAB9AMAPTALDH1A1
SCHEMBL7471112 0.82 ALDH1A1 (0.49) MAPK14NPC1RAB9AMAPTGAA

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
Send feedback