SCHEMBL29565288

SCHEMBL29565288

Cc1nc(-c2cccc(C#N)c2)n(O)c1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 1.00
XDH P47989 2/20 0.54
CYP1A2 P05177 1/20 0.52
PIN1 Q13526 1/20 0.52
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
SLC22A12 Q96S37 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA4 P48058 1/20 0.46

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
SCHEMBL25326934 1.00 F11 (1.00) F11XDHCYP1A2PIN1ALDH1A1
SCHEMBL26108356 0.87 F11 (0.77) F11XDHPIN1SLC22A12GRIA2
SCHEMBL26107862 0.87 F11 (0.77) F11XDHCYP1A2PIN1ALDH1A1
SCHEMBL25325875 0.84 F11 (0.72) F11XDHALDH1A1
SCHEMBL25326695 0.84 F11 (0.72) F11XDHPIN1SLC22A12GRIA2
SCHEMBL30771632 0.84 F11 (0.72) F11XDHPIN1SLC22A12GRIA2
SCHEMBL28746467 0.83 F11 (0.71) F11XDHCYP1A2ALDH1A1PKM
SCHEMBL25327264 0.81 F11 (0.67) F11XDHPIN1SLC22A12GRIA2
SCHEMBL30771625 0.81 F11 (0.67) F11XDHPIN1SLC22A12GRIA2
SCHEMBL26109700 0.81 F11 (0.67) F11XDHPIN1SLC22A12GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105881-B Platelet aggregation inhibitor, and preparation method and application thereof 沈阳海诺威医药科技有限公司 2024-01-26 CN claimed
CN-114105881-B Platelet aggregation inhibitor, and preparation method and application thereof 沈阳海诺威医药科技有限公司 2024-01-26 CN disclosed
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN disclosed
CN-114539158-A FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2022-05-27 CN disclosed