SCHEMBL8115209

SCHEMBL8115209

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.38
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
POLB P06746 1/20 0.35
FFAR1 O14842 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FKBP1A P62942 1/20 0.35
GNRHR P30968 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
SCHEMBL8115213 1.00 TBXAS1 (0.38) TBXAS1HDAC6LMNAMAPTALDH1A1
SCHEMBL6970047 0.91 POLB (0.39) LMNAMAPTALDH1A1POLBRXFP1
SCHEMBL6965153 0.91 PDE4A (0.37) LMNAMAPTALDH1A1POLBFFAR1
SCHEMBL6965158 0.91 PDE4A (0.37) LMNAMAPTALDH1A1POLBFFAR1
SCHEMBL6973833 0.91 MAPT (0.36) LMNAMAPTALDH1A1CYP19A1CYP11B1
SCHEMBL6973612 0.89 KMT2A (0.39) LMNAMAPTALDH1A1CYP19A1CYP11B1
SCHEMBL7083710 0.89 KMT2A (0.38) LMNAMAPTALDH1A1CYP19A1CYP11B1
SCHEMBL7081285 0.89 MAPT (0.37) LMNAMAPTALDH1A1POLBRXFP1
SCHEMBL7084614 0.88 FKBP1A (0.38) LMNAMAPTALDH1A1CYP19A1CYP11B1
SCHEMBL6968703 0.88 MAPT (0.37) LMNAMAPTALDH1A1CYP19A1CYP11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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