SCHEMBL6969841

SCHEMBL6969841

CC(C)c1nc(CCCOC(N)=O)n(CCCc2ccccc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
TSSK1B Q9BXA7 1/20 0.34
PPARG P37231 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGES O14684 2/20 0.33
ALOX5 P09917 1/20 0.33
HDAC1 Q13547 1/20 0.33
HTT P42858 1/20 0.33
PLA2G2A P14555 1/20 0.32
GSK3B P49841 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
RXRA P19793 1/20 0.31

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
SCHEMBL7085936 0.96 LMNA (0.42) LMNAPLK1ALDH1A1POLBPPARG
SCHEMBL6972389 0.96 LMNA (0.40) LMNAPLK1ALDH1A1POLBTSSK1B
SCHEMBL6973533 0.92 LMNA (0.34) LMNAGSK3B
SCHEMBL7085380 0.91 LMNA (0.36) LMNAPLK1ALDH1A1POLBTSSK1B
SCHEMBL6971875 0.91 LMNA (0.41) LMNAPPARGGSK3B
SCHEMBL6970753 0.91 ALDH1A1 (0.37) LMNAPLK1ALDH1A1POLBMEN1
SCHEMBL6970187 0.90 LMNA (0.44) LMNAPLK1ALDH1A1POLBTSSK1B
SCHEMBL6973439 0.89 GLA (0.31) LMNA
SCHEMBL7083562 0.89 ALDH1A1 (0.32) ALDH1A1PPARGMEN1KMT2A
SCHEMBL7084040 0.88 LMNA (0.31) LMNAMEN1KMT2AGSK3B

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