SCHEMBL7080940

SCHEMBL7080940

CC(=O)OC(Cc1ccncc1)c1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSK3B P49841 1/20 0.30
CYP19A1 P11511 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
SCHEMBL597335 0.92 MEN1 (0.31) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL7081545 0.92 CSNK2A2 (0.34) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL3453582 0.91 CDC7 (0.32) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL6160994 0.91 KDM4E (0.32) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL6167207 0.90 GPR142 (0.31) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL6973846 0.89
SCHEMBL6973278 0.89 MEN1 (0.35) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL6957831 0.89 GSK3B (0.30) GSK3BCYP19A1
SCHEMBL6975056 0.87 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP19A1
SCHEMBL6974565 0.86 DHFR (0.30)

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