SCHEMBL6972780

SCHEMBL6972780

Cc1cc(C)cc(Sc2c(C(C)C)nc(CCO)n2Cc2ccncc2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNH2 Q12809 1/20 0.32
ENPP2 Q13822 1/20 0.32
GSK3B P49841 1/20 0.31
P2RX3 P56373 2/20 0.31
PKM P14618 1/20 0.30
PHGDH O43175 1/20 0.30
GAA P10253 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
SCHEMBL6965525 0.94 GSK3B (0.34) MEN1KMT2AKCNH2ENPP2GSK3B
SCHEMBL7083001 0.91 MEN1 (0.34) MEN1KMT2AKCNH2P2RX3PHGDH
SCHEMBL7082502 0.90 BRD4 (0.38) MEN1KMT2AENPP2GAA
SCHEMBL6969945 0.89 KCNH2 (0.34) MEN1KMT2AKCNH2ENPP2GSK3B
SCHEMBL7085356 0.88 ENPP2 (0.36) MEN1KMT2AENPP2GSK3B
SCHEMBL7083049 0.88 SRC (0.36) MEN1KMT2A
SCHEMBL6967403 0.87 GSK3B (0.36) MEN1KMT2AENPP2GSK3B
SCHEMBL6959029 0.85 IDO1 (0.35) MEN1KMT2AKCNH2GSK3B
SCHEMBL6964122 0.85 P2RX3 (0.34) MEN1KMT2AENPP2P2RX3GAA
SCHEMBL7081183 0.84 TDP1 (0.37) GSK3B

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