SCHEMBL6972389

SCHEMBL6972389

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
TSSK1B Q9BXA7 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PLK1 P53350 1/20 0.33
HDAC1 Q13547 1/20 0.33
HTT P42858 2/20 0.33
PLA2G2A P14555 1/20 0.33
PTGES O14684 3/20 0.32
ALOX5 P09917 2/20 0.32
PPARG P37231 2/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL6969841 0.96 LMNA (0.44) LMNAALDH1A1POLBTSSK1BMEN1
SCHEMBL6970753 0.95 ALDH1A1 (0.37) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL7084040 0.92 LMNA (0.31) LMNAMEN1KMT2A
SCHEMBL7085380 0.92 LMNA (0.36) LMNAALDH1A1POLBTSSK1BMEN1
SCHEMBL7085936 0.91 LMNA (0.42) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL6967887 0.90 LMNA (0.35) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL6972724 0.90 LMNA (0.40) LMNAALDH1A1POLBTSSK1BMEN1
SCHEMBL6966575 0.88 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7085866 0.88 GLA (0.32)
SCHEMBL6973533 0.88 LMNA (0.34) LMNA

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