SCHEMBL6970754

SCHEMBL6970754

C=CCn1c(COCc2ccccc2)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
VCP P55072 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
APOBEC3G Q9HC16 2/20 0.32
LMNA P02545 4/20 0.32
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL14439832 0.93 VCP (0.35) TDP1MEN1KMT2ANPSR1VCP
SCHEMBL6974703 0.89 TDP1 (0.41) TDP1MEN1KMT2ANPSR1VCP
SCHEMBL6960598 0.89 TDP1 (0.36) TDP1MEN1KMT2ANPSR1VCP
SCHEMBL6962017 0.84 TDP1 (0.39) TDP1MEN1KMT2ANPSR1VCP
SCHEMBL6973144 0.84 TSHR (0.35) TDP1MEN1KMT2ANPSR1L3MBTL1
SCHEMBL6966933 0.83 TSHR (0.35) TDP1MEN1KMT2ANPSR1L3MBTL1
SCHEMBL6963914 0.83 NPC1 (0.38) MEN1KMT2AL3MBTL1APOBEC3GLMNA
SCHEMBL14439828 0.81 TDP1 (0.40) TDP1KMT2AVCPL3MBTL1TP53
SCHEMBL6966496 0.81 VCP (0.37) TDP1VCPL3MBTL1TP53MAPT
SCHEMBL14439841 0.80 VCP (0.36) TDP1VCPL3MBTL1TP53MAPT

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