SCHEMBL5699159

SCHEMBL5699159

CCOC(=O)C(=CN(c1cccc(Br)c1OC(F)F)C1CC1)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
F2R P25116 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
GAA P10253 2/20 0.31
DHODH Q02127 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLIN1 O60240 1/20 0.31
POLB P06746 1/20 0.31
PLIN5 Q00G26 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
SCHEMBL6653250 0.82 MEN1 (0.35) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6647935 0.72 NPSR1 (0.37) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL8625558 0.71 KMT2A (0.40) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6651194 0.70 MAPT (0.39) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL5733644 0.70 KMT2A (0.34) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL7844242 0.68 MEN1 (0.40) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL8645991 0.68 MEN1 (0.41) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL25069399 0.67 NPSR1 (0.40) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL2904253 0.67 MAPT (0.34) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL5204690 0.67 MAPT (0.34) MEN1KMT2AMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362843-B1 N-cyclopropyl-2-difluoromethoxy-3-bromoaniline and intermediate used for production thereof IHARA CHEMICAL IND CO (JP) 2006-06-14 EP disclosed
EP-1031555-B1 DIFLUOROMETHOXYBENZENE DERIVATIVES AND THEIR USE AS INTERMEDIATES IHARA CHEMICAL IND CO (JP) 2005-04-13 EP disclosed
EP-1362843-A2 N-cyclopropyl-2-difluoromethoxy-3-halogenoaniline and intermediate used for production thereof Ihara Chemical Industry Co., Ltd. (JP) 2003-11-19 EP disclosed
US-6316658-B1 QUINOLONE CARBOXYLATE CHEMICAL INTERMEDIATES; MICROBIOCIDES, BACTERICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-11-13 US disclosed
EP-1031555-A1 N-CYCLOPROPYL-2-DIFLUOROMETHOXY-3-HALOGENOANILINES AND INTERMEDIATES FOR THE PREPARATION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-08-30 EP disclosed