SCHEMBL7078348

SCHEMBL7078348

CC(C)c1nc(CO)n(Cc2ccncc2)c1Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX5AP P20292 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GSK3B P49841 1/20 0.33
POLB P06746 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
KCNK13 Q9HB14 1/20 0.32

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
SCHEMBL6967403 0.91 GSK3B (0.36) SMN1; SMN2KDM4EMEN1KMT2AALOX5AP
SCHEMBL7086620 0.89 GSK3B (0.40) KDM4EALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL6972815 0.88 KDM4E (0.36) KDM4EALOX5APALDH1A1MAPTTDP1
SCHEMBL7079909 0.88 IDO1 (0.36) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL5031006 0.88 SLC2A4 (0.33) MEN1KMT2AALOX5APCYP3A4PIM1
SCHEMBL7081083 0.88 ALOX5AP (0.37) SMN1; SMN2KDM4EALOX5APALDH1A1POLB
SCHEMBL8109545 0.87 GRIN1 (0.36) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6967507 0.87 PIM1 (0.34) SMN1; SMN2KDM4EMEN1KMT2AALOX5AP
SCHEMBL5852651 0.86 KCNH2 (0.35) MEN1KMT2ATDP1PIM1PIM3
SCHEMBL6960328 0.86 ALDH1A1 (0.37) KDM4EALOX5APALDH1A1MAPTTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed