SCHEMBL7084970

SCHEMBL7084970

CC(C)c1nc(CNC(N)=O)n(C)c1Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CXCL12 P48061 1/20 0.35
EPHX1 P07099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
ACKR3 P25106 1/20 0.33
RECQL P46063 1/20 0.33
BCAT2 O15382 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33

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
SCHEMBL7084094 0.89 SMN1; SMN2 (0.40) MAPTKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL6971356 0.87 TP53 (0.38) MAPTKMT2AMEN1TP53
SCHEMBL6973934 0.87 EPHX1 (0.37) EPHX1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7086092 0.86 LMNA (0.35) MAPTKMT2AMEN1CXCL12SMN1; SMN2
SCHEMBL6965334 0.84 PARP1 (0.30)
SCHEMBL6973791 0.84 CYP2C9 (0.33) RECQLCYP2C9CYP2C19
SCHEMBL6974787 0.84 SMN1; SMN2 (0.35) MAPTSMN1; SMN2CYP3A4
SCHEMBL7079210 0.83 LMNA (0.37) MAPTKMT2AMEN1SMN1; SMN2RECQL
SCHEMBL6969941 0.82 CYP1A2 (0.39) MAPTKMT2AMEN1CXCL12EPHX1
SCHEMBL6970053 0.81 PTPN1 (0.34) MAPTSMN1; SMN2RECQL

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