SCHEMBL6973271

SCHEMBL6973271

CC(C)c1nc(CNS(C)(=O)=O)n(Cc2ccccn2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
TLR7 Q9NYK1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.33
P2RX3 P56373 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL7086513 0.93 GRIN1 (0.36) POLBALDH1A1KMT2ATHRBHPGD
SCHEMBL7077261 0.90 POLB (0.35) POLBTLR7ALDH1A1MEN1KMT2A
SCHEMBL7080069 0.89 S1PR3 (0.37) TLR7ALDH1A1ACHE
SCHEMBL6974447 0.88 MEN1 (0.34) TLR7ALDH1A1MEN1KMT2AP2RX3
SCHEMBL6973437 0.86 MEN1 (0.40) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL6974276 0.86 GRIN1 (0.37) ALDH1A1KMT2AACHEGRM4
SCHEMBL6962934 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL8508399 0.85 LMNA (0.36) POLBALDH1A1TP53SMN1; SMN2GRM4
SCHEMBL7081725 0.85 TP53 (0.32) POLBTLR7THRBTP53
SCHEMBL6975001 0.84 ALDH1A1 (0.33) TLR7ALDH1A1MEN1KMT2AP2RX3

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