SCHEMBL5081617

SCHEMBL5081617

O=C(Nc1ccccc1-c1cccc(Cl)c1)Oc1cn[nH]c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.47
CHRM1 P11229 1/20 0.47
MAPK1 P28482 7/20 0.46
NAMPT P43490 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK10 P53779 5/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4B Q07343 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4780539 0.91 CHRM3 (0.45) CHRM3CHRM1MAPK1MEN1KMT2A
SCHEMBL5087704 0.86 CHRM3 (0.47) CHRM3MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL1127912 0.84 MEN1 (0.48) CHRM3MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5085060 0.84 CHRM3 (0.49) CHRM3CHRM1NAMPTMEN1KMT2A
SCHEMBL5084476 0.84 ALDH1A1 (0.50) CHRM3ALDH1A1PDE4B
SCHEMBL4602252 0.81 CHRM3 (0.51) CHRM3CHRM1MEN1KMT2AALDH1A1
SCHEMBL4731375 0.77 CCNE2 (0.40) CHRM3CHRM1MEN1KMT2AALDH1A1
SCHEMBL1128158 0.77 NPC1 (0.45) CHRM3CHRM1MEN1KMT2AALDH1A1
SCHEMBL4602463 0.77 NPC1 (0.47) CHRM3CHRM1MEN1KMT2AALDH1A1
SCHEMBL4426887 0.75 NPC1 (0.41) CHRM3MEN1KMT2AALDH1A1KDM4E

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-1901609-A2 FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES BASF SE (DE) 2008-03-26 EP disclosed
WO-2007003603-A2 FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO disclosed