SCHEMBL6972994

SCHEMBL6972994

CC(=O)OCc1nc(C(C)C)c(Sc2cccc([N+](=O)[O-])c2)n1Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
FKBP1A P62942 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
GNRHR P30968 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 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
SCHEMBL6962569 0.93 RXFP1 (0.38) RXFP1HTTPOLBKDM4EFKBP1A
SCHEMBL6973942 0.93 RXFP1 (0.40) RXFP1HTTPOLBKDM4EFKBP1A
SCHEMBL6974914 0.91 RXFP1 (0.39) RXFP1HTTPOLBKDM4EFKBP1A
SCHEMBL7081285 0.89 MAPT (0.37) RXFP1POLBKDM4EALDH1A1MAPT
SCHEMBL6962639 0.89 RXFP1 (0.37) RXFP1HTTPOLBKDM4EFKBP1A
SCHEMBL7084631 0.89 MAPT (0.42) RXFP1POLBKDM4EALDH1A1MAPT
SCHEMBL6974930 0.88 RXFP1 (0.36) RXFP1POLBFKBP1AALDH1A1MAPT
SCHEMBL6972739 0.88 RXFP1 (0.37) RXFP1POLBKDM4EFKBP1AALDH1A1
SCHEMBL6972478 0.88 RXFP1 (0.38) RXFP1HTTPOLBKDM4EFKBP1A
SCHEMBL6972338 0.88 GRIN1 (0.38) ALDH1A1MAPTLMNAKMT2A

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