SCHEMBL7086006

SCHEMBL7086006

CC(C)c1nc(CC#N)n(Cc2ccccn2)c1Sc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.33
ALDH1A1 P00352 7/20 0.33
TLR7 Q9NYK1 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KCNH2 Q12809 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
AR P10275 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
HRH1 P35367 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6969433 0.89 KMT2A (0.38) ALOX5APALDH1A1KMT2AMEN1PKM
SCHEMBL6960568 0.89 GRIN1 (0.37) ALOX5APALDH1A1TLR7ATMAR
SCHEMBL6960816 0.89 S1PR3 (0.33) ALOX5APALDH1A1TLR7ATMSMN1; SMN2
SCHEMBL6973470 0.89 PIK3CD (0.33) ALOX5APALDH1A1KMT2AMEN1ATM
SCHEMBL6972789 0.86 HRH3 (0.35) ALOX5APALDH1A1TLR7KCNH2SMN1; SMN2
SCHEMBL6965115 0.86 TLR7 (0.36) ALOX5APALDH1A1TLR7KMT2AMEN1
SCHEMBL6963974 0.86 ALDH1A1 (0.37) ALOX5APALDH1A1TLR7KCNH2PTGDR2
SCHEMBL6961494 0.85 CFTR (0.42) ALDH1A1KMT2AMEN1PKMSMN1; SMN2
SCHEMBL6973209 0.84 HRH1 (0.40) ALOX5APALDH1A1TLR7KCNH2PTGDR2
SCHEMBL7084157 0.84 TLR7 (0.37) ALOX5APALDH1A1TLR7KCNH2PTGDR2

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
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP 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