SCHEMBL7683316

SCHEMBL7683316

Fc1ccccc1-c1cc[c]cc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.42
KMT2A Q03164 1/20 0.37
DRD1 P21728 1/20 0.36
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4A P27815 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8802236 0.88 DRD1 (0.45) KCNN4KMT2ADRD1PDE2APDE10A
SCHEMBL7678739 0.87 KCNN4 (0.45) KCNN4KMT2ADRD1PDE2APDE10A
SCHEMBL732861 0.80 KCNN4 (0.40) KCNN4KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL900876 0.79 KMT2A (0.34) KMT2AHTTSMN1; SMN2
SCHEMBL2686922 0.77 KCNN4 (0.39) KCNN4PDE2APOLBALDH1A1
SCHEMBL434024 0.77 KDM4E (0.34) KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16719972 0.76 DRD1 (0.41) KCNN4KMT2ADRD1POLBHTT
SCHEMBL7683329 0.75 DRD1 (0.43) DRD1HTTSMN1; SMN2
SCHEMBL7683011 0.74 PDE4B (0.39) DRD1PDE2APDE10ASLC6A2SLC6A4
SCHEMBL534114 0.73 KMT2A (0.33) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476061-B1 Fungicides containing pyrrolidones as their active agents BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed