SCHEMBL7084899

SCHEMBL7084899

CCn1c(COC(=O)NC)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
KDM4E B2RXH2 1/20 0.30
APOBEC3A P31941 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL7078929 0.90 TP53 (0.37) TOP2ATOP2BSMN1; SMN2
SCHEMBL6165162 0.90
SCHEMBL8010363 0.89 HSP90B1 (0.32)
SCHEMBL6974554 0.89 MEN1 (0.31)
SCHEMBL6160517 0.88 GPR139 (0.32)
SCHEMBL6974836 0.88
SCHEMBL6974435 0.88 TOP2A (0.32) TOP2ATOP2BKDM4EAPOBEC3ASMN1; SMN2
SCHEMBL6975015 0.88 KDM4E (0.33) TOP2ATOP2BKDM4EAPOBEC3ASMN1; SMN2
SCHEMBL6962940 0.88 HSP90B1 (0.31) SMN1; SMN2
SCHEMBL6160555 0.88

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