SCHEMBL5529006

SCHEMBL5529006

Cc1nc2ncnn2c(CC2CCCCC2)c1-c1ccc(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
PDE2A O00408 17/20 0.36
MEN1 O00255 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
SCHEMBL974576 0.82 PDE2A (0.39) KMT2AALDH1A1POLBTSHRPDE2A
SCHEMBL977655 0.71 PDE2A (0.35) KMT2AALDH1A1POLBTSHRPDE2A
SCHEMBL22004855 0.70 HRH4 (0.36) KMT2AALDH1A1POLBTSHRPDE2A
SCHEMBL14491954 0.67 ALDH1A1 (0.49) KMT2AALDH1A1POLBTSHR
SCHEMBL22005416 0.67 ENPP1 (0.35) KMT2AALDH1A1POLBTSHRPDE2A
SCHEMBL14491955 0.65 MBOAT4 (0.48) KMT2AALDH1A1POLBTSHR
SCHEMBL14491952 0.65 ALDH1A1 (0.42) KMT2AALDH1A1POLBTSHR
SCHEMBL976565 0.65 PDE2A (0.43) PDE2A
SCHEMBL8386776 0.65 TSHR (0.46) KMT2AALDH1A1TSHRPDE2AMEN1
SCHEMBL5731714 0.63 PDE2A (0.47) ALDH1A1PDE2A

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-1773121-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
WO-2006002984-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-01-12 WO disclosed