SCHEMBL9480245

SCHEMBL9480245

Cc1cc(=O)n(-c2cc3c(cc2F)OCC(=O)N3)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NR3C2 P08235 6/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
SLC6A4 P31645 2/20 0.38
PARP1 P09874 1/20 0.38
PGR P06401 1/20 0.37

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
SCHEMBL9727556 0.84 BCAT1 (0.45) MAPTTP53THRBNR3C2PGR
SCHEMBL7556723 0.80 MMP12 (0.46) MMP12MAPTTP53THRBMEN1
SCHEMBL10491107 0.76 MAPT (0.46) MMP12MAPTTP53THRBMEN1
SCHEMBL7563867 0.75 NR3C2 (0.39) MMP12MAPTTP53THRBNR3C2
SCHEMBL12808579 0.75 MMP12 (0.41) MMP12MAPTTP53THRBMEN1
SCHEMBL12060295 0.73 TP53 (0.57) MMP12MAPTTP53THRBMEN1
SCHEMBL10592084 0.73 NR3C2 (0.53) MMP12MAPTTP53THRBMEN1
SCHEMBL6617682 0.73 NR3C2 (0.39) MMP12MAPTTP53THRBKMT2A
SCHEMBL4049030 0.73 MMP12 (0.54) MMP12MAPTTP53THRBKMT2A
SCHEMBL9477408 0.72 BCAT2 (0.33) MEN1KMT2A

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
US-5232898-A Herbicides CIBA-GEIGY CORPORATION (US) 1993-08-03 US disclosed
EP-0434778-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-03 EP disclosed
WO-1990015057-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1990-12-13 WO disclosed