SCHEMBL6967988

SCHEMBL6967988

CC(C)c1nc(CCOC(N)=O)n(Cc2ccncc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.35
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
CYP19A1 P11511 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX3 P56373 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 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
SCHEMBL6965758 0.95 ENPP2 (0.34) ENPP2PIM1PIM3CYP19A1MEN1
SCHEMBL6961792 0.92 ENPP2 (0.32) ENPP2PIM1PIM3CYP19A1
SCHEMBL7085115 0.92 ENPP2 (0.33) ENPP2PIM1PIM3TP53
SCHEMBL7080228 0.92 MEN1 (0.34) CYP19A1MEN1KMT2A
SCHEMBL6969213 0.92 ENPP2 (0.35) ENPP2CYP19A1MEN1KMT2AP2RX3
SCHEMBL6967887 0.92 LMNA (0.35) ENPP2MEN1KMT2APOLB
SCHEMBL6967033 0.91 ENPP2 (0.31) ENPP2
SCHEMBL6974519 0.91 ENPP2 (0.35) ENPP2PIM1PIM3CYP19A1MEN1
SCHEMBL7084040 0.91 LMNA (0.31) CYP19A1MEN1KMT2A
SCHEMBL6973396 0.90 PIM1 (0.34) ENPP2PIM1PIM3CYP19A1MEN1

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