SCHEMBL9539629

SCHEMBL9539629

CN(C)CCCOc1ccc(O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
MAOA P21397 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
BRCA1 P38398 1/20 0.51
HIF1A Q16665 1/20 0.51
KDM4E B2RXH2 3/20 0.47
EGFR P00533 2/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
KDR P35968 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
PABPC1 P11940 1/20 0.44
HPGD P15428 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL9540725 0.93 MEN1 (0.53) MEN1KMT2AMAPTMAOASMN1; SMN2
SCHEMBL9539532 0.83 MAPT (0.58) MEN1KMT2AMAPTMAOASMN1; SMN2
SCHEMBL28369269 0.82 MEN1 (0.53) MEN1KMT2AMAPTMAOASMN1; SMN2
SCHEMBL9539607 0.82 MAPT (0.56) MEN1KMT2AMAPTMAOASMN1; SMN2
SCHEMBL11604034 0.82 KCNA3 (0.65) MAPTSMN1; SMN2KDM4EEGFRTDP1
Hydrochloric Acid SCHEMBL11604535 0.81 KCNA3 (0.63) MAPTKDM4EEGFRTDP1ALDH1A1
SCHEMBL9542166 0.80 MAPT (0.58) MEN1KMT2AMAPTMAOASMN1; SMN2
SCHEMBL9542191 0.80 MAOA (0.53) MEN1KMT2AMAPTMAOASMN1; SMN2
SCHEMBL23543115 0.80 MEN1 (0.53) MEN1KMT2AMAPTMAOASMN1; SMN2
SCHEMBL23543135 0.80 MEN1 (0.53) MEN1KMT2AMAPTMAOASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993005054-A1 OXAZAPHOSPHORINES USEFUL AS ANTITUMOR AGENTS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-03-18 WO disclosed