SCHEMBL9192049

SCHEMBL9192049

O=C(/C=C/C=C/C1C(F)C1c1ccc(Br)c(Br)c1)Nc1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.48
NPC1 O15118 11/20 0.43
SMN1; SMN2 Q16637 11/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 3/20 0.37
STAT1 P42224 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
SCHEMBL9566168 0.81 FAAH (0.39)
SCHEMBL8846309 0.79 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8846166 0.77 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9190865 0.77 MMP1 (0.40) RAB9ANPC1KDM4ETDP1KMT2A
SCHEMBL9566090 0.77 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9253964 0.76 MMP1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8846207 0.76 AKR1C3 (0.33)
SCHEMBL9190928 0.76 AKR1C3 (0.33)
SCHEMBL9580375 0.74
SCHEMBL9566137 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547972-A1 Heterocyclic amide derivatives and their use as pesticides ROUSSEL-UCLAF (FR) 1993-06-23 EP claimed
EP-0547972-B1 Heterocyclic amide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1995-03-22 EP disclosed
EP-0547972-A1 Heterocyclic amide derivatives and their use as pesticides ROUSSEL-UCLAF (FR) 1993-06-23 EP disclosed