SCHEMBL7999726

SCHEMBL7999726

Cc1nc(-c2ccc(CN3CCN(S(=O)(=O)c4cccc5ccccc45)CC3=O)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
F10 P00742 7/20 0.39
F2 P00734 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 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
SCHEMBL7986640 0.91 HCRTR1 (0.45) FNTAFNTBMAPTTP53MEN1
SCHEMBL7997639 0.86 L3MBTL1 (0.45) MAPTTP53MEN1KMT2ALMNA
SCHEMBL7996072 0.85 LMNA (0.46) MAPTTP53MEN1KMT2ALMNA
SCHEMBL7996216 0.83 LMNA (0.46) MAPTTP53LMNATHRBF10
SCHEMBL8000074 0.82 LMNA (0.42) MAPTLMNATSHRTHRBF10
SCHEMBL7996149 0.80 HCRTR1 (0.46) MAPTTP53LMNATHRBALDH1A1
SCHEMBL7070017 0.80 DGAT1 (0.50) MAPTMEN1KMT2ALMNATSHR
SCHEMBL7996147 0.79 LMNA (0.42) MAPTTP53LMNATHRBF10
SCHEMBL7996075 0.79 F10 (0.48) MAPTTP53LMNAF10ALDH1A1
SCHEMBL7986759 0.78 MAPT (0.42) MAPTTP53LMNATSHRTHRB

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed