SCHEMBL6973144

SCHEMBL6973144

C=CCn1c(CCl)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
LMNA P02545 2/20 0.34
GRM5 P41594 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.34
NCOA3 Q9Y6Q9 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
SCHEMBL6966933 0.90 TSHR (0.35) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6970754 0.84 TDP1 (0.34) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6961776 0.84 CFTR (0.40) TSHRALDH1A1HPGDAPOBEC3GLMNA
SCHEMBL6965321 0.79 APLNR (0.34) ALDH1A1LMNANPSR1MAPTTP53
SCHEMBL6972491 0.77 APLNR (0.33) ALDH1A1LMNANPSR1MAPTTP53
SCHEMBL6966003 0.76 TYMS (0.37) ALDH1A1HPGDKDM4ELMNAGRM5
SCHEMBL6961885 0.76 TP53 (0.37) LMNAGRM5NPSR1MEN1KMT2A
SCHEMBL14439832 0.76 VCP (0.35) ALDH1A1KDM4EAPOBEC3GLMNANPSR1
SCHEMBL6974118 0.75 TLR8 (0.34) MAPTTDP1GAA
SCHEMBL6963544 0.75 POLB (0.45) ALDH1A1HPGDKDM4ELMNAGRM5

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