SCHEMBL9196128

SCHEMBL9196128

O=C(/C=C/C=C/C1(F)CC1c1ccc(Br)c(Br)c1)Nc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
CXCR1 P25024 3/20 0.39
HTT P42858 3/20 0.36
CXCR2 P25025 3/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRIK1 P39086 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL27447172 0.92 MMP1 (0.39) EGFRCXCR1HTTCXCR2KMT2A
SCHEMBL9190860 0.92 MMP1 (0.39) EGFRCXCR1HTTCXCR2KMT2A
SCHEMBL9193683 0.92 MMP1 (0.40) EGFRKMT2AMEN1NPC1LMNA
SCHEMBL9190956 0.91 MMP1 (0.40) EGFRHTTKMT2AMEN1NPC1
SCHEMBL9191694 0.91 MMP1 (0.40) EGFRHTTKMT2AMEN1NPC1
SCHEMBL9188945 0.91 MMP1 (0.40) EGFRHTTKMT2AMEN1NPC1
SCHEMBL9191690 0.91 MMP1 (0.40) EGFRHTTKMT2AMEN1NPC1
SCHEMBL9455405 0.91 MMP1 (0.40) EGFRHTTKMT2AMEN1NPC1
SCHEMBL9194352 0.89 EGFR (0.32) EGFR
SCHEMBL9188292 0.88 MAOB (0.41) EGFRHTTKMT2AMEN1NPC1

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-0524041-B1 Pesticides ROUSSEL UCLAF (FR) 1995-09-20 EP claimed