SCHEMBL20917786

SCHEMBL20917786

FC(F)(F)c1ccc(CN2CN=C(SCc3ccccc3)NC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15B O15296 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ MAOB P27338 1/20 0.43
▸ ACHE P22303 3/20 0.42
▸ BCHE P06276 2/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ SIGMAR1 Q99720 3/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ CLPP Q16740 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
SCHEMBL20920201 0.91 KDM4E (0.41) ALOX15BL3MBTL1MAPTMAPK1ACHE
SCHEMBL20917797 0.90 MAPT (0.47) ALOX15BL3MBTL1MAPTMAPK1MAOB
SCHEMBL19019919 0.89 HIF1A (0.47) ALOX15BL3MBTL1MAPTMAPK1POLB
SCHEMBL19061440 0.87 MAPK1 (0.46) MAPK1MAOBACHEBCHEBACE1
SCHEMBL19061872 0.81 MAPK1 (0.41) L3MBTL1MAPTMAPK1POLBGAA
SCHEMBL22263137 0.81 MAPK1 (0.50) MAPK1GAAALDH1A1SIGMAR1LMNA
SCHEMBL20917965 0.81 MAPK1 (0.41) L3MBTL1MAPTMAPK1GAAKDM4E
SCHEMBL20932763 0.81 MAPT (0.41) ALOX15BL3MBTL1MAPTMAPK1MAOB
SCHEMBL19061947 0.80 P2RX7 (0.44) MAPK1MAOBGAAALDH1A1LMNA
SCHEMBL19019922 0.80 MAPK1 (0.50) MAPK1POLBGAAKDM4EALDH1A1

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-2019078246-A1 IDO/TDO INHIBITOR 一般社団法人ファルマバレープロジェクト支援機構 2019-04-25 — — WO disclosed
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