SCHEMBL7079822

SCHEMBL7079822

N=C(N)NC(O)=S.N=C(N)SC(=O)Nc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.42
GSK3B P49841 1/20 0.42
FABP7 O15540 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3068440 0.88 KDM4E (0.67) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL3056865 0.78 KDM4E (0.59) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL3736747 0.76 GAA (0.48) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL3076833 0.75 KDM4E (0.59) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL29518911 0.72 KDM4E (0.62) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL1740862 0.72 KDM4E (0.62) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL30227787 0.71 KDM4E (0.71) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL1741823 0.71 KDM4E (0.71) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL79802 0.71 KDM4E (1.00) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL3609938 0.71 KDM4E (0.60) KDM4EGAAALDH1A1SMN1; SMN2MAPT

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
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed