SCHEMBL9566090

SCHEMBL9566090

Cc1cc(NC(=O)/C=C/C=C/C2C(F)C2c2ccc(Br)c(Br)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 10/20 0.43
NPC1 O15118 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
GAPDH P04406 1/20 0.41
HPGD P15428 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35

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)
SCHEMBL9188296 0.79 MAOB (0.43) LMNASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9566085 0.77 RAB9A (0.45) RAB9ALMNAKDM4ESMN1; SMN2NPC1
SCHEMBL9190865 0.77 MMP1 (0.40) RAB9ALMNAKDM4ENPC1MEN1
SCHEMBL9192049 0.77 RAB9A (0.48) RAB9ALMNAKDM4ESMN1; SMN2NPC1
SCHEMBL9580375 0.76
SCHEMBL9253964 0.76 MMP1 (0.41) RAB9ALMNAKDM4ESMN1; SMN2NPC1
SCHEMBL9190928 0.76 AKR1C3 (0.33)
SCHEMBL8846207 0.76 AKR1C3 (0.33)
SCHEMBL8846309 0.75 RAB9A (0.44) RAB9ALMNAKDM4ESMN1; SMN2NPC1

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
EP-0547972-A1 Heterocyclic amide derivatives and their use as pesticides ROUSSEL-UCLAF (FR) 1993-06-23 EP claimed