SCHEMBL3666596

SCHEMBL3666596

O=c1[nH]cc(-c2ccccn2)c(-c2ccccc2)c1-c1cccnc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TGFBR1 P36897 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CDC7 O00311 2/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MET P08581 1/20 0.34
▸ MAPT P10636 2/20 0.33

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
SCHEMBL3665777 0.89 CCNE1 (0.40) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL6692474 0.87 PARP1 (0.39) PARP1HTTCHEK1CDC7DHODH
SCHEMBL3667468 0.87 PARP1 (0.45) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL3672899 0.85 CYP2A6 (0.40) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL3667347 0.84 MAPK14 (0.42) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL3668802 0.82 PRMT5 (0.38) CYP2A6PARP1SMN1; SMN2HTTATM
SCHEMBL2921725 0.81 CDK2 (0.45) SMN1; SMN2HTTCHEK1NPC1RAB9A
SCHEMBL6674838 0.81 CYP2A6 (0.55) CYP2A6PARP1SMN1; SMN2TGFBR1NPC1
SCHEMBL6679862 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HTTATMNPC1RAB9A
SCHEMBL2918049 0.81 GRIA1 (0.47) PARP1SMN1; SMN2HTTATMCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164487-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 — — EP disclosed
EP-2164488-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 — — EP disclosed
EP-2131828-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES Eisai R&D Management Co., Ltd. (JP) 2009-12-16 — — EP disclosed
WO-2009011410-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 — — WO disclosed
WO-2009011411-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 — — WO disclosed
WO-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 — — WO disclosed
EP-1465626-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES Eisai Co., Ltd. (JP) 2004-10-13 — — EP disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 — — WO disclosed
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