SCHEMBL3038580

SCHEMBL3038580

Cn1cc(OC(=O)Nc2ccccc2-c2ccccc2Cl)c(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
GAA P10253 2/20 0.38
PLA2G7 Q13093 1/20 0.37
MGLL Q99685 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.36
HSD11B1 P28845 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 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
SCHEMBL3046034 0.91 CHRM3 (0.47) CHRM3POLBLMNAMEN1KMT2A
SCHEMBL4835285 0.90 LMNA (0.39) CHRM3POLBLMNAMEN1KMT2A
SCHEMBL3024592 0.88 CHRM3 (0.44) CHRM3POLBLMNAGAANPC1
SCHEMBL3036503 0.87 CHRM3 (0.38) CHRM3POLBLMNAMEN1KMT2A
SCHEMBL5141264 0.87 POLB (0.43) CHRM3POLBLMNAMEN1KMT2A
SCHEMBL3150885 0.87 CHRM3 (0.48) CHRM3POLBLMNAMEN1KMT2A
SCHEMBL4775321 0.87 CHRM3 (0.46) CHRM3POLBLMNAMEN1KMT2A
SCHEMBL5624615 0.86 CHRM3 (0.41) CHRM3POLBLMNAMEN1KMT2A
SCHEMBL1538160 0.86 CHRM3 (0.40) CHRM3POLBLMNAMEN1KMT2A
SCHEMBL4563688 0.86 KMT2A (0.40) CHRM3POLBLMNAMEN1KMT2A

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-1903869-A2 FUNGICIDE MIXTURES BASED ON 1-METHYL-PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF SE (DE) 2008-04-02 EP disclosed
WO-2007006806-A2 FUNGICIDE MIXTURES BASED ON 1-METHYL-PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 WO disclosed