SCHEMBL6974089

SCHEMBL6974089

CC(C)c1nc(CO)n(CCc2ccncc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
PLK1 P53350 1/20 0.32
CYP17A1 P05093 3/20 0.31
CYP21A2 P08686 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP11B1 P15538 2/20 0.31
RXFP1 Q9HBX9 1/20 0.30
MAPK14 Q16539 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
SCHEMBL6974410 0.94 MAPK14 (0.36) CYP17A1CYP21A2CYP11B1MAPK14
SCHEMBL6964205 0.93 HRH1 (0.32) HRH1HTR6PLK1CYP17A1CYP21A2
SCHEMBL6961438 0.91 MAPK14 (0.34) HRH1HTR6PLK1MAPK14
SCHEMBL6961236 0.91 POLB (0.44) POLBMEN1KMT2A
SCHEMBL6960983 0.89 ENPP2 (0.32) MEN1KMT2A
SCHEMBL7086335 0.88 POLB (0.34) POLBRXFP1
SCHEMBL6966608 0.87 MAPK14 (0.37) MAPK14
SCHEMBL7084584 0.86 MAPK14 (0.37) MAPK14
SCHEMBL6971460 0.85 MEN1 (0.35) PLK1CYP17A1CYP21A2MEN1KMT2A
SCHEMBL6965421 0.84 POLB (0.38) POLBPLK1MEN1KMT2AMAPK14

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