SCHEMBL7716936

SCHEMBL7716936

Nc1ccc(NC(=O)c2snnc2-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
GAA P10253 2/20 0.70
MAPT P10636 2/20 0.70
NPSR1 Q6W5P4 2/20 0.62
POLB P06746 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 3/20 0.55
ABCC8 Q09428 1/20 0.51
KCNJ11 Q14654 1/20 0.51
USP36 Q9P275 1/20 0.48
PKM P14618 2/20 0.46
SETD7 Q8WTS6 1/20 0.46

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
SCHEMBL7078970 0.89 GAA (0.73) KDM4EGAAMAPTNPSR1POLB
SCHEMBL7783912 0.82 KDM4E (0.53) KDM4EGAAMAPTNPSR1POLB
SCHEMBL7715855 0.82 MAPT (0.49) KDM4EGAAMAPTNPSR1POLB
SCHEMBL6816075 0.80 KDM4E (0.68) KDM4EGAAMAPTNPSR1POLB
SCHEMBL7718022 0.77 LMNA (0.73) KDM4EGAAPOLBMEN1KMT2A
SCHEMBL8575023 0.77 NPSR1 (1.00) KDM4EGAAMAPTNPSR1POLB
SCHEMBL32685674 0.76 GAA (0.71) KDM4EGAAMAPTNPSR1POLB
SCHEMBL3506164 0.75 KDM4E (0.69) KDM4EGAAMAPTNPSR1POLB
SCHEMBL2079586 0.74 NPSR1 (0.68) KDM4EGAAMAPTNPSR1POLB
SCHEMBL12174971 0.71 NPSR1 (0.69) KDM4EGAAMAPTNPSR1POLB

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-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed