SCHEMBL28212935

SCHEMBL28212935

CC(C)(C)OC(=O)CNCc1c(N)ccc(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 1/20 0.37
CCNT1 O60563 1/20 0.36
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTPRC P08575 2/20 0.33
GAA P10253 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
STAT3 P40763 1/20 0.31
ATM Q13315 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL11552559 0.86 SMN1; SMN2 (0.37) MAPTRAB9AGAACA12CA1
Hydrochloric Acid SCHEMBL5710314 0.85 SMN1; SMN2 (0.36) MAPTRAB9AGAA
SCHEMBL278947 0.83 PPID (0.42) MAPT
SCHEMBL30505642 0.83 PPID (0.42) MAPT
SCHEMBL11550553 0.82 TSHR (0.37) MAPT
Hydrochloric Acid SCHEMBL5710126 0.82 PPID (0.41) MAPT
Hydrochloric Acid SCHEMBL27767646 0.82 PPID (0.41) MAPT
SCHEMBL11553376 0.81 LTA4H (0.34) NPC1
SCHEMBL2476365 0.80 TDP1 (0.40) VSIRMAPTGAA
SCHEMBL30937535 0.80 ATR (0.40) VSIRCCNT1MAPTS1PR1MAPKAPK2

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-107903217-B Preparation method of anagrelide impurity B 湖北省宏源药业科技股份有限公司 2021-11-23 CN claimed
CN-107903217-A A kind of preparation method of anagrelide impurity B 湖北省宏源药业科技股份有限公司 2018-04-13 CN claimed
CN-107903217-B Preparation method of anagrelide impurity B 湖北省宏源药业科技股份有限公司 2021-11-23 CN disclosed
CN-107903217-A A kind of preparation method of anagrelide impurity B 湖北省宏源药业科技股份有限公司 2018-04-13 CN disclosed