SCHEMBL9190865

SCHEMBL9190865

O=C(/C=C/C=C/C1C(F)C1c1ccc(Br)c(Br)c1)Nc1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.40
MMP2 P08253 6/20 0.40
MMP9 P14780 6/20 0.40
CXCR1 P25024 2/20 0.36
KDM1A O60341 1/20 0.36
EGFR P00533 1/20 0.34
CXCR2 P25025 2/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9253964 0.89 MMP1 (0.41) MMP1MMP2MMP9EGFRMAPT
SCHEMBL9194378 0.87 EGFR (0.33) EGFRMAOB
SCHEMBL9188296 0.86 MAOB (0.43) MMP1MMP2MMP9EGFRMAPT
SCHEMBL8846309 0.83 RAB9A (0.44) MAPTKDM4ENPC1KMT2AGAA
SCHEMBL9190928 0.78 AKR1C3 (0.33)
SCHEMBL8846207 0.78 AKR1C3 (0.33)
SCHEMBL9566168 0.78 FAAH (0.39) EGFRMAOB
SCHEMBL9566090 0.77 RAB9A (0.47) MAPTKDM4ENPC1KMT2AMEN1
SCHEMBL9192049 0.77 RAB9A (0.48) MAPTKDM4ENPC1KMT2AGAA
SCHEMBL9190860 0.76 MMP1 (0.39) MMP1MMP2MMP9CXCR1KDM1A

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-0524041-B1 Pesticides ROUSSEL UCLAF (FR) 1995-09-20 EP disclosed
EP-0524041-A2 Pesticides ROUSSEL UCLAF (FR) 1993-01-20 EP disclosed