SCHEMBL6960428

SCHEMBL6960428

CCn1c(COCc2ccccc2)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.37
DHODH Q02127 1/20 0.34
TSHR P16473 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MDM2 Q00987 1/20 0.31
GSK3B P49841 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
SCHEMBL6957486 0.92 VCP (0.36) VCPDHODHTSHRKMT2A
SCHEMBL6966496 0.88 VCP (0.37) VCPDHODHTSHRACSS2
SCHEMBL4900234 0.85 TSHR (0.36) VCPTSHRACSS2MEN1KMT2A
SCHEMBL6960598 0.84 TDP1 (0.36) VCPTSHRMEN1KMT2A
SCHEMBL7086402 0.83
SCHEMBL5300690 0.82 TSHR (0.34) VCPTSHRACSS2
SCHEMBL6962522 0.81 CYP2C9 (0.40) MEN1KMT2A
SCHEMBL6965896 0.80 VCP (0.36) VCPDHODHTSHRMDM2
SCHEMBL14439828 0.80 TDP1 (0.40) VCPDHODHTSHRKMT2AMDM2
SCHEMBL6966388 0.79

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