SCHEMBL6973942

SCHEMBL6973942

CC(C)c1nc(COC(N)=O)n(Cc2cccnc2)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
FKBP1A P62942 1/20 0.36
GNRHR P30968 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 2/20 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
SCHEMBL6972478 0.93 RXFP1 (0.38) RXFP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL7084614 0.93 FKBP1A (0.38) RXFP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6972994 0.93 RXFP1 (0.41) RXFP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL7085948 0.92 FKBP1A (0.41) RXFP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6968230 0.91 PDE4A (0.36) RXFP1MAPTALDH1A1POLBHTT
SCHEMBL7081278 0.91 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6974914 0.91 RXFP1 (0.39) RXFP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6973446 0.89 MAPT (0.42) RXFP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6974823 0.89 MAPT (0.37) RXFP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6968703 0.88 MAPT (0.37) MAPTALDH1A1SMN1; SMN2KDM4EGAA

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