SCHEMBL27508585

SCHEMBL27508585

C=CC(=O)Oc1ccc2c(c1)CCCN2C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.58
▸ TP53 P04637 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.54
▸ POLB P06746 3/20 0.53
▸ LMNA P02545 6/20 0.52
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TSHR P16473 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL7831372 0.83 NOTUM (0.62) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL2203840 0.82 NOTUM (0.83) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL28631380 0.78 HSD17B10 (0.70) NOTUMHSD17B10POLBLMNAALDH1A1
SCHEMBL24011118 0.78 LMNA (0.71) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL8141514 0.76 LMNA (0.60) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL27691365 0.76 NOTUM (0.72) NOTUMTP53HSD17B10MAPK1
SCHEMBL6721657 0.75 NOTUM (0.64) NOTUMTP53LMNAALDH1A1TSHR
SCHEMBL156256 0.75 NOTUM (0.82) NOTUMTP53POLBLMNAALDH1A1
SCHEMBL11853725 0.74 ESR1 (0.69) NOTUMTP53HSD17B10POLBLMNA
SCHEMBL12245561 0.74 ALOX15 (0.53) TP53HSD17B10POLBALDH1A1SMN1; SMN2

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
CN-1168667-A Pyridopyrimidones, quinolines and fused N-heretocycles as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 — — CN disclosed
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