SCHEMBL7947456

SCHEMBL7947456

COc1cc(Cl)cc(NC(=O)N(S)c2ccc(C(N)=O)c3ccccc23)c1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SHMT2 P34897 2/20 0.37
GRIK1 P39086 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
ATM Q13315 1/20 0.36
SYK P43405 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
KCNMA1 Q12791 1/20 0.35
HIF1A Q16665 1/20 0.35
CSF1R P07333 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
METAP2 P50579 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL6816561 0.84 KMT2A (0.47) KDM4EKMT2AMEN1SHMT2ALDH1A1
SCHEMBL7947455 0.80 KMT2A (0.46) KDM4EKMT2AMEN1GRIK1ALDH1A1
SCHEMBL6819238 0.69 SHMT2 (0.47) KDM4EKMT2AMEN1SHMT2ALDH1A1
SCHEMBL28286023 0.67 KDM4E (0.45) KDM4EKMT2AMEN1ALDH1A1ATM
SCHEMBL6816378 0.66 KMT2A (0.69) KDM4EKMT2AMEN1SHMT2ALDH1A1
SCHEMBL6814951 0.65 ALDH1A1 (0.46) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL6810995 0.65 KDM4E (0.50) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL6811904 0.65 KMT2A (0.47) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL6814780 0.65 KDM4E (0.50) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL6815995 0.65 KMT2A (0.47) KDM4EKMT2AMEN1ALDH1A1HPGD

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