SCHEMBL5347251

SCHEMBL5347251

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 4/20 0.37
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CNR1 P21554 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 0.93 CHRM3 (0.47) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL5141264 0.86 POLB (0.43) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL5341146 0.85 CHRM3 (0.47) CHRM3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3038580 0.84 CHRM3 (0.42) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL3041527 0.84 CHRM3 (0.47) CHRM3MEN1KMT2APOLBMAPT
SCHEMBL4443888 0.83 LMNA (0.52) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL4563649 0.82 CHRM3 (0.45) CHRM3NPC1
SCHEMBL4453763 0.82 LMNA (0.52) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL5276665 0.82 CHRM3 (0.46) CHRM3MEN1KMT2APOLBLMNA
SCHEMBL4685382 0.81 CHRM3 (0.47) CHRM3NPC1

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-1856055-A1 PYRAZOLE CARBOXYLIC ACID ANILIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THEM FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP claimed
WO-2006087343-A1 PYRAZOLE CARBOXYLIC ACID ANILIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THEM FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-08-24 WO claimed