SCHEMBL7085380

SCHEMBL7085380

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
TSSK1B Q9BXA7 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PLA2G2A P14555 1/20 0.33
PTGES O14684 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
PLK1 P53350 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
HTT P42858 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
MAPK14 Q16539 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 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
SCHEMBL6961071 0.95 ALDH1A1 (0.36) ALDH1A1POLBMEN1KMT2APLK1
SCHEMBL7080027 0.92 MAPK14 (0.31) MEN1KMT2AMAPK14
SCHEMBL6972389 0.92 LMNA (0.40) LMNAALDH1A1POLBTSSK1BMEN1
SCHEMBL6969841 0.91 LMNA (0.44) LMNAALDH1A1POLBTSSK1BMEN1
SCHEMBL7081608 0.90 LMNA (0.36) LMNAALDH1A1POLBTSSK1BMEN1
SCHEMBL6975183 0.89 ENPP2 (0.35) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL6974392 0.87 CYP1A2 (0.33) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL7085936 0.87 LMNA (0.42) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL6971460 0.87 MEN1 (0.35) MEN1KMT2APLK1MAPK14
SCHEMBL6970753 0.87 ALDH1A1 (0.37) LMNAALDH1A1POLBMEN1KMT2A

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