SCHEMBL14019381

SCHEMBL14019381

NC(=O)c1cc(-c2cccs2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.45
CHEK1 O14757 1/20 0.45
CHEK2 O96017 1/20 0.45
HDAC1 Q13547 8/20 0.44
HDAC2 Q92769 8/20 0.44
HDAC3 O15379 7/20 0.44
KCNH2 Q12809 1/20 0.43
AR P10275 1/20 0.42
ERN1 O75460 2/20 0.41
LTA4H P09960 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL27605039 0.86 ALDH1A1 (0.49) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL5605556 0.77 HDAC6 (0.62) POLB
SCHEMBL27575615 0.76 ERN1 (0.40) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL5605301 0.75 MMP12 (0.52) CHEK1
SCHEMBL13892837 0.74 MMP12 (0.47) KDM4EPOLBHDAC1HDAC2HDAC3
SCHEMBL3081682 0.73 CHEK1 (0.62) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL4559856 0.72 AR (0.52) CHEK1CHEK2HDAC1HDAC2HDAC3
SCHEMBL6142324 0.72 MMP12 (0.47) CHEK1CHEK2
SCHEMBL28110998 0.72 KCNH2 (0.55) KDM4EALDH1A1GAAMAPTHPGD
Carbamic Acid SCHEMBL26695414 0.72 HPGDS (0.54) KDM4EALDH1A1GAAMAPTHPGD

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-1588173-B1 AFFINITY FISHING FOR LIGANDS AND PROTEINS RECEPTORS NOVO NORDISK AS (DK) 2008-11-26 EP disclosed