SCHEMBL13770701

SCHEMBL13770701

O=C(Nc1cnc2c(n1)CCCC1=C2CNCC1)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 1/20 0.38
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ LMNA P02545 1/20 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
SCHEMBL13770699 0.84 MEN1 (0.43) NPC1RAB9ACYP1A2ALDH1A1LMNA
SCHEMBL12848741 0.77 HTR1F (0.38) HTR1FNPC1RAB9ATP53MAPT
SCHEMBL12848849 0.76 HTR1F (0.40) HTR1FNPC1RAB9ATP53SMN1; SMN2
SCHEMBL12848853 0.75 HTR1F (0.37) HTR1FNPC1RAB9ATP53CYP1A2
SCHEMBL23528955 0.64 HTR1F (0.74) HTR1FNPC1RAB9ATP53CYP1A2
SCHEMBL23528943 0.64 HTR1F (0.51) HTR1FNPC1RAB9ATP53CYP1A2
SCHEMBL29764279 0.64 HTR1F (0.51) HTR1FNPC1RAB9ATP53CYP1A2
SCHEMBL15205496 0.64 SNCA (0.46) HTR1FNPC1RAB9ATP53CYP1A2
SCHEMBL27487339 0.61 MEN1 (0.57) NPC1RAB9ATP53CYP1A2CYP2C19
SCHEMBL5232592 0.60 HCAR3 (0.57) NPC1RAB9ATP53SMN1; SMN2ALDH1A1

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-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO disclosed
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