SCHEMBL9201732

SCHEMBL9201732

S=C1[N]C=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
PTPRC P08575 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN1 P18031 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN22 Q9Y2R2 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
SCHEMBL224606 0.73 MEN1 (0.45) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL1245585 0.73 KDM4E (0.35) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL29625958 0.65 LMNA (0.46) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL25894 0.65
SCHEMBL11150811 0.65 KDM4E (0.37) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL8607730 0.64
SCHEMBL3769766 0.63 MEN1 (0.55) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL9784286 0.62 LMNA (0.43) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL160698 0.61 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL160697 0.61 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1LMNABCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466452-B1 Thioxo heterocycles and their pharmaceutical use ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5240941-A Enzyme inhibitors; antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-08-31 US disclosed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 EP disclosed