SCHEMBL6969693

SCHEMBL6969693

CC(C)c1c(Sc2cc(Cl)cc(Cl)c2)nc(COCc2ccccc2)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.38
DHODH Q02127 2/20 0.34
TACR1 P25103 5/20 0.33
RHEB Q15382 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
GRM5 P41594 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
SLC5A2 P31639 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGER1 P34995 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
SCHEMBL6973812 0.92 LMNA (0.39) VCPTACR1L3MBTL1KDM4ETDP1
SCHEMBL6969238 0.83 VCP (0.38) VCPDHODHTACR1RHEBL3MBTL1
SCHEMBL6969885 0.82
SCHEMBL6962035 0.81 DRD2 (0.30)
SCHEMBL6973162 0.79 TP53 (0.37) VCPTDP1
SCHEMBL6961640 0.78 MAPT (0.31) L3MBTL1SMN1; SMN2
SCHEMBL6958048 0.78 HSP90B1 (0.33)
SCHEMBL6974384 0.78 HSP90B1 (0.34)
SCHEMBL8109935 0.78 HSP90B1 (0.32)
SCHEMBL6974005 0.77

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