SCHEMBL7940926

SCHEMBL7940926

CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(I)ccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
F2 P00734 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
MAPT P10636 2/20 0.47
ATM Q13315 1/20 0.43

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
SCHEMBL7936274 0.86 MEN1 (0.56) MEN1KMT2AF2LMNAGAA
SCHEMBL6672970 0.85 MEN1 (0.49) MEN1KMT2AF2LMNAGAA
SCHEMBL6813782 0.82 MEN1 (0.52) MEN1KMT2AF2LMNAGAA
SCHEMBL7938457 0.81 MAPT (0.67) MEN1KMT2AMAPT
SCHEMBL7938895 0.80 MEN1 (0.52) MEN1KMT2AF2LMNAGAA
SCHEMBL7847389 0.76 MEN1 (0.49) MEN1KMT2AF2LMNAGAA
SCHEMBL31688961 0.72 KRAS (0.47) MAPT
SCHEMBL12480220 0.71 PTGDR2 (0.44) KMT2AGAAMAPT
SCHEMBL6695126 0.71 KMT2A (0.48) MEN1KMT2ALMNAGAAMAPT
SCHEMBL6698530 0.70 MEN1 (0.51) MEN1KMT2AF2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed