SCHEMBL6969233

SCHEMBL6969233

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CTSD P07339 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
SCHEMBL6965395 0.95 LMNA (0.35) KMT2AMEN1HTTALDH1A1BLM
SCHEMBL6965372 0.91 KMT2A (0.37) KMT2AMEN1HTTALDH1A1BLM
SCHEMBL6974071 0.90 MEN1 (0.33) KMT2AMEN1HTTALDH1A1BLM
SCHEMBL6967852 0.90 KMT2A (0.33) KMT2AMEN1HTTALDH1A1BLM
SCHEMBL6972473 0.87 LMNA (0.36) ALDH1A1MAPTLMNA
SCHEMBL7081892 0.87 HTT (0.36) KMT2AMEN1HTTALDH1A1RXFP1
SCHEMBL6973092 0.87
SCHEMBL7084290 0.85 LMNA (0.35) KMT2AMEN1HTTALDH1A1RXFP1
SCHEMBL6965360 0.85 LMNA (0.35) KMT2AMEN1HTTALDH1A1RXFP1
SCHEMBL6960689 0.85 HTT (0.35) KMT2AMEN1HTTALDH1A1RXFP1

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