SCHEMBL8350976

SCHEMBL8350976

CCn1c(=O)[nH]c(NI)c(NCc2ccc(OC)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38

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
SCHEMBL8350979 0.83 MEN1 (0.44) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL6093649 0.67 KDM4E (0.80) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL2984842 0.65 CNOT7 (0.54) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL2993196 0.64 CNOT7 (0.53) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL4161269 0.64 BPTF (0.52) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL20611300 0.62 CA12 (0.45) LMNAMEN1KMT2AMAPTCA12
SCHEMBL14441697 0.62 ALDH1A1 (0.57) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL4612507 0.61 RAB9A (0.57) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL20105594 0.61 KDM4E (0.64) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL22111515 0.61 KDM4E (0.78) LMNAMEN1KMT2AALDH1A1MAPT

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
WO-2003101992-A1 PROCESS FOR PREPARING XANTHINE PHOSPHODIESTERASE V INHIBITORS AND PRECURSORS THEREOF SCHERING CORPORATION (US) 2003-12-11 WO disclosed