SCHEMBL7947455

SCHEMBL7947455

COc1cc(Cl)cc(NC(=S)Nc2ccc(C(N)=O)c3ccccc23)c1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIK1 P39086 1/20 0.39
ATM Q13315 1/20 0.39
SMO Q99835 1/20 0.39
HPGD P15428 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL7947460 0.84 ALDH1A1 (0.46) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6816557 0.83 MAPT (0.56) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7947456 0.80 KDM4E (0.43) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL28286023 0.69 KDM4E (0.45) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL6819231 0.68 MAPT (0.63) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL535326 0.67 PLK1 (0.65) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6816565 0.66 MAPT (0.60) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6816369 0.65 KMT2A (0.79) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7134009 0.65 ALDH1A1 (0.68) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL6880369 0.65 CDC25B (0.59) KMT2AMEN1KDM4EALDH1A1GAA

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed