SCHEMBL6965372

SCHEMBL6965372

Cc1cc(C)cc(Sc2c(C(C)C)nc(COC(N)=O)n2CC(=O)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
ALOX5 P09917 1/20 0.35
BLM P54132 1/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.32
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTSD P07339 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6969233 0.91 KMT2A (0.36) KMT2AMEN1ALOX5BLMMAPT
SCHEMBL6961728 0.90 KMT2A (0.34) KMT2AMEN1ALOX5BLMMAPT
SCHEMBL6974497 0.90 MEN1 (0.34) KMT2AMEN1ALOX5BLMMAPT
SCHEMBL6965395 0.89 LMNA (0.35) KMT2AMEN1ALOX5BLMMAPT
SCHEMBL7080037 0.87 POLB (0.37) KMT2AMEN1HPGDTSHRLMNA
SCHEMBL7084745 0.86
SCHEMBL7081892 0.85 HTT (0.36) KMT2AMEN1ALOX5MAPTHTT
SCHEMBL6969825 0.84 LMNA (0.31) MAPTLMNANPSR1
SCHEMBL6963210 0.83 LMNA (0.30) LMNA
SCHEMBL6960689 0.83 HTT (0.35) KMT2AMEN1ALOX5MAPTHTT

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