SCHEMBL7617299

SCHEMBL7617299

CSC1=Cc2cccc3cccc1c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 7/20 0.40
S100A4 P26447 2/20 0.40
SOAT1 P35610 1/20 0.40
CES2 O00748 1/20 0.40
BCHE P06276 1/20 0.40
CES1 P23141 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 6/20 0.38
TSHR P16473 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
CYP3A4 P08684 2/20 0.35
PABPC1 P11940 2/20 0.35
DNMT1 P26358 1/20 0.35

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
SCHEMBL7653528 0.73 SOAT1 (0.51) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL133155 0.72 MEN1 (0.52) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL28962436 0.72 MAPK1 (0.55) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL131080 0.72 MAPK1 (0.55) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL29018324 0.69 SOAT1 (0.66) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL3289050 0.68 MAPK1 (0.52) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL4073489 0.68 MAPK1 (0.74) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL7557528 0.68 MAPK1 (0.52) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL58539 0.68 MAPK1 (0.57) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL131366 0.68 ALDH1A1 (0.59) MEN1KMT2AMAPK1MAPTALDH1A1

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
US-6432294-B1 ELECTROCHEMICAL OXIDATION OF DISULFIDES IN ARENE SOLUTIONS FOR SYNTHESIS OF ORGANOTHIATED PRODUCT THE UNIVERSITY OF ARIZONA 2002-08-13 US disclosed