SCHEMBL9845452

SCHEMBL9845452

Nc1c(F)cc2c3c1CCCN3C(=O)CO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 2/20 0.33
LMNA P02545 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
PARP1 P09874 2/20 0.32
GAA P10253 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL9845456 0.80 KDM4E (0.32) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL9845449 0.78 MEN1 (0.31) MEN1KMT2ATSHR
SCHEMBL9845446 0.77 LMNA (0.36) MEN1KMT2ATSHRHSD17B10LMNA
SCHEMBL9845462 0.75 NPC1 (0.38) TDP1MAPTCES1
SCHEMBL10909007 0.74 NPC1 (0.39) MEN1KMT2ATSHRMAPTCES1
SCHEMBL10910976 0.72 MEN1 (0.39) MEN1KMT2ATSHRHSD17B10LMNA
SCHEMBL10910689 0.72 HTR2A (0.37) MEN1KMT2ATSHRLMNAL3MBTL1
SCHEMBL10997214 0.72 L3MBTL1 (0.33) MEN1KMT2ATSHRLMNAL3MBTL1
SCHEMBL10995658 0.70 LMNA (0.32) MEN1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL10997207 0.70 LMNA (0.37) MEN1KMT2ALMNAL3MBTL1ALDH1A1

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-0406993-A2 Substituted benzoxazolinone and benzoxazinone derivatives, process for their preparation and their use as agent with herbicide activity SCHERING AKTIENGESELLSCHAFT (DE) 1991-01-09 EP disclosed