SCHEMBL6975015

SCHEMBL6975015

CNC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
APOBEC3A P31941 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
HSP90B1 P14625 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
SCHEMBL6969926 0.90 TP53 (0.36) TOP2ATOP2B
SCHEMBL6973990 0.88 MEN1 (0.34) SMN1; SMN2
SCHEMBL7084899 0.88 TOP2A (0.32) KDM4EAPOBEC3ASMN1; SMN2APOBEC3GTOP2A
SCHEMBL7083502 0.87 KDM4E (0.33) KDM4EAPOBEC3ASMN1; SMN2APOBEC3GTOP2A
SCHEMBL6972382 0.87 HSP90B1 (0.30) HSP90B1
SCHEMBL6962712 0.87
SCHEMBL6961025 0.87 LMNA (0.36) SMN1; SMN2HSP90B1
SCHEMBL6973270 0.85 TOP2A (0.46) KDM4EAPOBEC3ASMN1; SMN2APOBEC3GTOP2A
SCHEMBL6965682 0.83 TSHR (0.35) SMN1; SMN2HSP90B1
SCHEMBL6961504 0.83 ENPP2 (0.35) KDM4ETOP2ATOP2B

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