SCHEMBL1387686

SCHEMBL1387686

[CH2]c1cnc(C(N)=O)n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAPK3 O43293 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ SIRT6 Q8N6T7 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ NNMT P40261 3/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 3/20 0.30
▸ ADORA2A P29274 1/20 0.30

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
SCHEMBL1387743 0.78 SIRT3 (0.37) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL27883858 0.76 DAPK3 (0.33) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL14476224 0.73 PARP1 (0.33) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL12851752 0.73 ALDH1A1 (0.35) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL30618874 0.72 LMNA (0.35) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL4102422 0.72 PARP1 (0.32) DAPK3CSNK1A1LIMK1TNK2ROCK1
SCHEMBL15201382 0.71 SMN1; SMN2 (0.46) SIRT6TSHRNNMTSMN1; SMN2ALDH1A1
SCHEMBL2117211 0.71 LMNA (0.56) TSHRCYP1A2CYP2C19SMN1; SMN2LMNA
Acetic Acid SCHEMBL29091296 0.69 LMNA (0.33) SMN1; SMN2LMNA
SCHEMBL14823456 0.65 CYP1A2 (0.40) MAP4K4NNMTCYP1A2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09503518-A — — 1997-04-08 — — JP claimed
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 — — EP claimed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 — — WO claimed
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 — — EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 — — WO disclosed
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