SCHEMBL8143233

SCHEMBL8143233

Nc1sccc1-c1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
BCAT2 O15382 1/20 0.30

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
SCHEMBL1521830 0.77 CYP2A6 (0.40)
SCHEMBL28592007 0.74 PTGS2 (0.44) KMT2AMAPK1BCAT2
SCHEMBL1521954 0.73 PGR (0.33)
SCHEMBL2761711 0.71 MEN1 (0.32) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL6607471 0.71 ALDH1A1 (0.52) MEN1ALDH1A1KMT2AGLAHSD17B10
SCHEMBL14797486 0.70 BCAT2 (0.39) ALDH1A1MAPTBCAT2
SCHEMBL28598912 0.70 PTGS2 (0.44) MEN1ALDH1A1KMT2ALMNAMAPK1
SCHEMBL27033095 0.69 ALDH1A1 (0.50) MEN1ALDH1A1KMT2AGLAHSD17B10
SCHEMBL8855149 0.69 MEN1 (0.35) MEN1ALDH1A1KMT2ALMNAHSD17B10
SCHEMBL322239 0.69 MEN1 (0.35) MEN1ALDH1A1KMT2ALMNAHSD17B10

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-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 EP disclosed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 WO disclosed