SCHEMBL6973615

SCHEMBL6973615

CNCc1nc(C(C)C)c(Sc2cccc([N+](=O)[O-])c2)n1Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ATM Q13315 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
SCHEMBL7084631 0.91 MAPT (0.42) MAPTPOLBSMN1; SMN2HPGDMAPK1
SCHEMBL7084684 0.91 MAPT (0.39) MAPTPOLBHPGDTHRBALDH1A1
SCHEMBL6973446 0.90 MAPT (0.42) MAPTPOLBSMN1; SMN2HPGDMAPK1
SCHEMBL6964743 0.90 MAPT (0.41) MAPTPOLBSMN1; SMN2THRBALDH1A1
SCHEMBL6968703 0.90 MAPT (0.37) MAPTPOLBSMN1; SMN2HPGDMAPK1
SCHEMBL7081285 0.90 MAPT (0.37) MAPTPOLBSMN1; SMN2HPGDMAPK1
SCHEMBL6971127 0.89 POLB (0.37) MAPTPOLBSMN1; SMN2HPGDMAPK1
SCHEMBL6973833 0.88 MAPT (0.36) MAPTPOLBSMN1; SMN2HPGDALDH1A1
SCHEMBL7083710 0.88 KMT2A (0.38) MAPTPOLBSMN1; SMN2HPGDTHRB
SCHEMBL6966664 0.88 MAPT (0.38) MAPTPOLBSMN1; SMN2HPGDALDH1A1

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