SCHEMBL6653250

SCHEMBL6653250

CCOC(=O)C(=CN(c1ccc(F)c(F)c1OC(F)F)C1CC1)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
MAPK1 P28482 1/20 0.30
DHODH Q02127 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
SCHEMBL6647935 0.88 NPSR1 (0.37) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL8625558 0.86 KMT2A (0.40) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL6651194 0.85 MAPT (0.39) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL5699159 0.82 MEN1 (0.34) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL8645991 0.75 MEN1 (0.41) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL25069399 0.75 NPSR1 (0.40) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL8626320 0.73 ALDH1A1 (0.40) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL262000 0.71 MAPT (0.38) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL27345346 0.71 MAPT (0.41) MEN1KMT2ANPSR1LMNAMAPT
SCHEMBL10656978 0.69 KMT2A (0.42) MEN1KMT2ANPSR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990639-B1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL IND CO (JP) 2004-02-25 EP disclosed
US-6162944-A Process for production of N-cyclopropylanilines and intermediates therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2000-12-19 US disclosed
EP-0990639-A1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-04-05 EP disclosed