SCHEMBL6972739

SCHEMBL6972739

CC(=O)Oc1nc(C(C)C)c(Sc2cccc([N+](=O)[O-])c2)n1Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
FKBP1A P62942 1/20 0.37
GNRHR P30968 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6973925 0.91 PDE4A (0.37) RXFP1GNRHRMAPTALDH1A1ATM
SCHEMBL6972994 0.88 RXFP1 (0.41) RXFP1KDM4EFKBP1AGNRHRMAPT
SCHEMBL7080221 0.87 GNRHR (0.37) RXFP1KDM4EFKBP1AGNRHRMAPT
SCHEMBL6971953 0.86 ALDH1A1 (0.41) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL6962497 0.86 GRIN1 (0.39) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL6975519 0.86 ALDH1A1 (0.41) KDM4EALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7084512 0.85 IRAK4 (0.38) FKBP1AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7081285 0.85 MAPT (0.37) RXFP1KDM4EGNRHRMAPTALDH1A1
SCHEMBL7084631 0.85 MAPT (0.42) RXFP1KDM4EMAPTALDH1A1ATM
SCHEMBL6962569 0.84 RXFP1 (0.38) RXFP1KDM4EFKBP1AGNRHRMAPT

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