SCHEMBL28208490

SCHEMBL28208490

CCOC(=O)CNCc1c(N)cc(Cl)c(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 3/20 0.39
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPIG Q13427 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
LTA4H P09960 3/20 0.36
FGFR1 P11362 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL278947 0.84 PPID (0.42) PPIDPPIBPPIAPPIGL3MBTL1
SCHEMBL30505642 0.84 PPID (0.42) PPIDPPIBPPIAPPIGL3MBTL1
Hydrochloric Acid SCHEMBL27767646 0.83 PPID (0.41) PPIDPPIBPPIAPPIGL3MBTL1
Hydrochloric Acid SCHEMBL5710126 0.83 PPID (0.41) PPIDPPIBPPIAPPIGL3MBTL1
SCHEMBL28207903 0.80 CA1 (0.36)
SCHEMBL16063626 0.78 HTT (0.48) PPIDPPIBPPIAPPIGL3MBTL1
SCHEMBL4003642 0.77 HTT (0.55) PPIDL3MBTL1HTTKMT2AMEN1
SCHEMBL11553376 0.74 LTA4H (0.34) PPIDPPIBPPIAPPIGKMT2A
SCHEMBL7307996 0.72 PPID (0.44) PPIDPPIBPPIAPPIGL3MBTL1
SCHEMBL11548859 0.72 ALDH1A1 (0.40) L3MBTL1KMT2AMEN1ALDH1A1HPGD

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-107903269-B Preparation method of anagrelide trichloro derivative 湖北省宏源药业科技股份有限公司 2021-05-04 CN claimed
CN-107903269-B Preparation method of anagrelide trichloro derivative 湖北省宏源药业科技股份有限公司 2021-05-04 CN disclosed
CN-107903269-B Preparation method of anagrelide trichloro derivative 湖北省宏源药业科技股份有限公司 2021-05-04 CN disclosed
CN-107903269-A A kind of preparation method of three chlorine derivative of anagrelide 湖北省宏源药业科技股份有限公司 2018-04-13 CN disclosed