SCHEMBL3046034

SCHEMBL3046034

Cn1cc(OC(=O)Nc2ccccc2-c2ccc(Cl)cc2Cl)c(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
HSD11B1 P28845 3/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR2 O95136 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5347251 0.93 CHRM3 (0.47) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL5141264 0.92 POLB (0.43) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL3038580 0.91 CHRM3 (0.42) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL3034453 0.86 CHRM3 (0.48) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL4775321 0.86 CHRM3 (0.46) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL4835285 0.86 LMNA (0.39) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL3036503 0.85 CHRM3 (0.38) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL3041527 0.85 CHRM3 (0.47) CHRM3MEN1KMT2APOLBHSD11B1
SCHEMBL3150885 0.85 CHRM3 (0.48) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL4563290 0.84 CHRM3 (0.40) CHRM3POLBLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235005-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
EP-2224812-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-09-08 EP disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
WO-2009077497-A2 AZOLYL METHYL OXIRANES, THE USE THEREOF, AND AGENTS CONTAINING THEM BASF SE (DE) 2009-06-25 WO disclosed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
WO-2009077471-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
EP-1898703-A1 FUNGICIDE MIXTURES BASED ON 2,4-DISUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYLAMIDES BASF SE (DE) 2008-03-19 EP disclosed
WO-2007000462-A1 FUNGICIDE MIXTURES BASED ON 2,4-DISUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-04 WO disclosed