SCHEMBL6969562

SCHEMBL6969562

COc1ccc(COCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2CC(C)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.35
TBXA2R P21731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ENPP2 Q13822 2/20 0.32
CNR1 P21554 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
GPR139 Q6DWJ6 1/20 0.31
CYP2C9 P11712 1/20 0.31
DHODH Q02127 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6968770 0.90 TDP1 (0.35) LMNAMAPT
SCHEMBL6962510 0.89 MAPT (0.39) CCR2KDM4EALDH1A1LMNAMAPT
SCHEMBL6974229 0.88 MAPT (0.34) CCR2ALDH1A1LMNAMAPTHPGD
SCHEMBL6965629 0.86 DHFR (0.33) CCR2KDM4EALDH1A1LMNAMAPT
SCHEMBL6957630 0.85 DHODH (0.39) CCR2ALDH1A1MAPTHPGDDHODH
SCHEMBL14439857 0.85 DHODH (0.39) CCR2ALDH1A1MAPTHPGDDHODH
SCHEMBL6958208 0.85 MAPT (0.32) CCR2MAPTDHODHSMN1; SMN2
SCHEMBL6963914 0.85 NPC1 (0.38) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6964520 0.84 DHODH (0.34) CCR2KDM4EALDH1A1MAPTDHODH
SCHEMBL6967218 0.83 MAPT (0.35) MAPTCNR1ADORA3DHODHSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

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