SCHEMBL6972000

SCHEMBL6972000

CC(C)c1nc(CCCOC(N)=O)n(CCc2ccncc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.30
GSK3B P49841 1/20 0.30
PLK1 P53350 1/20 0.30
GRM2 Q14416 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL6973533 0.96 LMNA (0.34) LMNACYP19A1GSK3B
SCHEMBL7080228 0.95 MEN1 (0.34) MEN1KMT2ACYP19A1PLK1GRM2
SCHEMBL7085936 0.92 LMNA (0.42) MEN1KMT2ALMNAPLK1
SCHEMBL6965758 0.92 ENPP2 (0.34) MEN1KMT2ALMNACYP19A1GSK3B
SCHEMBL7084040 0.92 LMNA (0.31) MEN1KMT2ALMNACYP19A1GSK3B
SCHEMBL6971460 0.91 MEN1 (0.35) MEN1KMT2APLK1GRM2
SCHEMBL6973857 0.90 LMNA (0.33) LMNAGSK3BPLK1THRB
SCHEMBL6973439 0.89 GLA (0.31) LMNA
SCHEMBL6969841 0.88 LMNA (0.44) MEN1KMT2ALMNAGSK3BPLK1
SCHEMBL6973961 0.88 MEN1 (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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