SCHEMBL8612855

SCHEMBL8612855

Nc1ccc([C](F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MASP2 O00187 1/20 0.50
PLAU P00749 1/20 0.50
THPO P40225 1/20 0.50
APEX1 P27695 2/20 0.48
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS3 P35030 1/20 0.48
CYP19A1 P11511 3/20 0.46
CYP3A4 P08684 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HIF1A Q16665 3/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CA3 P07451 1/20 0.45
THRB P10828 1/20 0.45
CA6 P23280 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL2059535 0.83 TP53 (0.35) MAPTHSD17B10TSHRTP53LMNA
SCHEMBL23390994 0.77 LMNA (0.48) MAPTMEN1KMT2AMASP2PLAU
SCHEMBL10493685 0.73 MAPT (0.57) MAPTMEN1KMT2AMASP2PLAU
SCHEMBL10933735 0.73 CYP19A1 (0.65) MAPTMEN1KMT2AMASP2PLAU
SCHEMBL17289141 0.71 CES2 (0.55) MEN1KMT2AESR1ESR2ACHE
SCHEMBL8668012 0.71 MAPT (0.53) MAPTMEN1KMT2AMASP2PLAU
SCHEMBL27981 0.71
SCHEMBL320609 0.71 MEN1 (1.00) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL11359248 0.69 MASP2 (0.44) MAPTMEN1KMT2AMASP2PLAU
SCHEMBL17996528 0.69 TPMT (0.50) APP

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
WO-1998031689-A1 NOVEL MIXED BENZENE ACID DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-07-23 WO disclosed