SCHEMBL6960915

SCHEMBL6960915

CC(C)(C)[Si](C)(C)OCc1ncc(Sc2cccc(Cl)c2)n1COCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
EGLN1 Q9GZT9 1/20 0.31
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
PPP1CA P62136 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAOB P27338 1/20 0.30
MEN1 O00255 2/20 0.30
GRM5 P41594 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6967547 0.69 MEN1 (0.35) POLBMAPTKMT2AALDH1A1HPGD
SCHEMBL8800399 0.68 MEN1 (0.36) POLBMAPTKMT2AALDH1A1HPGD
SCHEMBL6973521 0.68 KMT2A (0.34) POLBMAPTKMT2AALDH1A1PPP1CA
SCHEMBL6961224 0.68 ALDH1A1 (0.35) POLBMAPTKMT2AALDH1A1PPP1CA
SCHEMBL8800395 0.68 KMT2A (0.35) POLBMAPTKMT2AALDH1A1PPP1CA
SCHEMBL21367138 0.67 CYP3A4 (0.56) MAPTHPGDKDM4EMAOBCYP3A4
SCHEMBL6965768 0.67 DUT (0.38) MAPTKMT2AKDM4EMEN1TDP1
SCHEMBL6972414 0.66 MEN1 (0.39) POLBKMT2AMAOBMEN1GRM5
SCHEMBL17398332 0.65 SLC6A2 (0.41) POLBMAPTKMT2AALDH1A1HPGD
SCHEMBL6972910 0.65 ALDH1A1 (0.35) POLBMAPTKMT2AALDH1A1PPP1CA

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