SCHEMBL6969216

SCHEMBL6969216

CC(=O)OCCOC(Cc1cccnc1)c1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
IDO1 P14902 1/20 0.32
NAMPT P43490 3/20 0.32
PRCP P42785 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NLRP3 Q96P20 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL7084647 0.94 ALDH1A1 (0.38) MEN1KMT2AIDO1NAMPTPRCP
SCHEMBL7082209 0.90 IDO1 (0.34) MEN1KMT2AIDO1NAMPTCYP1A2
SCHEMBL6973846 0.90
SCHEMBL6973132 0.90 LMNA (0.34) MEN1KMT2ANAMPTCYP1A2CYP3A4
SCHEMBL6973278 0.90 MEN1 (0.35) MEN1KMT2AIDO1NAMPTPRCP
SCHEMBL7085227 0.89 IDO1 (0.31) MEN1KMT2AIDO1
SCHEMBL6960778 0.87 LMNA (0.34) MEN1KMT2AIDO1NAMPTCYP1A2
SCHEMBL6962571 0.85 RXFP1 (0.36) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL6973004 0.85 SLC6A9 (0.32) KMT2A
SCHEMBL7087680 0.85 MEN1 (0.33) MEN1KMT2ANPC1

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