SCHEMBL7085227

SCHEMBL7085227

CC(C)c1nc(C(Cc2cccnc2)OCCO)[nH]c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL6972366 0.93 ALDH1A1 (0.37) IDO1KMT2A
SCHEMBL6973902 0.90 IDO1 (0.32) IDO1
SCHEMBL6969216 0.89 MEN1 (0.34) IDO1MEN1KMT2A
SCHEMBL6970653 0.89
SCHEMBL7085468 0.89 CHRM1 (0.32) KMT2A
SCHEMBL6973278 0.87 MEN1 (0.35) IDO1MEN1KMT2A
SCHEMBL6962106 0.86 TP53 (0.32) IDO1KMT2A
SCHEMBL6973659 0.85 MEN1 (0.34) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL7084598 0.83 ADRB2 (0.33)
SCHEMBL7164320 0.83 RHEB (0.31)

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