SCHEMBL6974435

SCHEMBL6974435

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
ENPP2 Q13822 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
SCHEMBL7086602 0.90 TOP2A (0.34) TOP2ATOP2BENPP2
SCHEMBL7079379 0.89 MEN1 (0.33)
SCHEMBL7084899 0.88 TOP2A (0.32) TOP2ATOP2BKDM4EAPOBEC3ASMN1; SMN2
SCHEMBL7086131 0.88
SCHEMBL7083502 0.88 KDM4E (0.33) TOP2ATOP2BKDM4EAPOBEC3ASMN1; SMN2
SCHEMBL6965378 0.88 LMNA (0.32)
SCHEMBL6961984 0.86 ENPP2 (0.39) TOP2ATOP2BENPP2
SCHEMBL7087523 0.85 TOP2A (0.44) TOP2ATOP2BSMN1; SMN2
SCHEMBL7084180 0.84 S1PR3 (0.39) TOP2ATOP2BENPP2SMN1; SMN2
SCHEMBL6967367 0.83 ENPP2 (0.39) TOP2ATOP2BENPP2SMN1; SMN2

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