SCHEMBL9953096

SCHEMBL9953096

CCC(OC(N)=O)(c1cc(Cl)c(C)c(Br)c1OC)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
IMPDH2 P12268 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9953098 0.70 LMNA (0.31) ALDH1A1KDM4EGAANCOA1NCOA3
SCHEMBL9952080 0.70 NCOA1 (0.35) ALDH1A1KDM4EGAANCOA1NCOA3
SCHEMBL9952278 0.67 ALDH1A1 (0.38) ALDH1A1KDM4EGAANCOA1NCOA3
SCHEMBL9928867 0.66 L3MBTL1 (0.45) ALDH1A1KDM4EGAAIMPDH2
SCHEMBL9952276 0.65 ALDH1A1 (0.33) ALDH1A1KDM4EGAANCOA1NCOA3
SCHEMBL9952084 0.65 LMNA (0.38) ALDH1A1KDM4EGAANCOA1NCOA3
SCHEMBL9929296 0.64 HSD17B10 (0.40) ALDH1A1KDM4EGAAIMPDH2SMN1; SMN2
SCHEMBL9953040 0.64 IMPDH2 (0.45) ALDH1A1KDM4EGAAIMPDH2
SCHEMBL9953105 0.64 AAK1 (0.38) ALDH1A1KDM4EGAA
SCHEMBL9952029 0.63 TAAR1 (0.46) IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed