SCHEMBL6972764

SCHEMBL6972764

CCCn1c(CO)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
GCGR P47871 10/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHODH Q02127 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
SCHEMBL6970796 0.93 GCGR (0.35) MEN1HPGDKMT2AGCGRSMN1; SMN2
SCHEMBL6974433 0.91 GCGR (0.37) MEN1HPGDKMT2AGCGR
SCHEMBL6963837 0.91 MEN1 (0.37) MEN1HPGDKMT2AGCGRALDH1A1
SCHEMBL6961567 0.90 DHODH (0.35) GCGRALDH1A1MAPTDHODH
SCHEMBL6974517 0.89 MEN1 (0.36) MEN1HPGDKMT2AGCGRALDH1A1
SCHEMBL6973126 0.88 GCGR (0.30) GCGR
SCHEMBL6961746 0.86 ALDH1A1 (0.37) MEN1HPGDKMT2AGCGRALDH1A1
SCHEMBL6973041 0.85 HSP90B1 (0.35) MEN1HPGDKMT2AGCGRALDH1A1
SCHEMBL6969051 0.85 GCGR (0.32) GCGRDHODH
SCHEMBL6966447 0.84

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