SCHEMBL6974823

SCHEMBL6974823

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
GNRHR P30968 1/20 0.34

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
SCHEMBL6972664 0.91 PDE4A (0.37) MAPTALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL6968703 0.90 MAPT (0.37) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL7081285 0.90 MAPT (0.37) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL6973942 0.89 RXFP1 (0.40) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL6973446 0.89 MAPT (0.42) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL6973833 0.88 MAPT (0.36) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL7083710 0.88 KMT2A (0.38) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL6973612 0.87 KMT2A (0.39) MAPTALDH1A1KDM4ERAB9AKMT2A
SCHEMBL7084614 0.87 FKBP1A (0.38) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL6973615 0.87 MAPT (0.39) MAPTALDH1A1KDM4ESMN1; SMN2GAA

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