SCHEMBL9539532

SCHEMBL9539532

O=C1c2ccccc2C(=O)c2c(OCCCCl)ccc(O)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
MEN1 O00255 10/20 0.58
KMT2A Q03164 10/20 0.58
MAOA P21397 5/20 0.58
TDP1 Q9NUW8 6/20 0.49
MCL1 Q07820 5/20 0.49
POLB P06746 4/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PABPC1 P11940 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
BLM P54132 1/20 0.49
PLEC Q15149 1/20 0.49
CSNK1G1 Q9HCP0 1/20 0.49
KCNA3 P22001 1/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 4/20 0.45

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
SCHEMBL9539607 0.95 MAPT (0.56) MAPTMEN1KMT2AMAOATDP1
SCHEMBL9542166 0.94 MAPT (0.58) MAPTMEN1KMT2AMAOATDP1
SCHEMBL23543115 0.84 MEN1 (0.53) MAPTMEN1KMT2AMAOATDP1
SCHEMBL13159329 0.84 MEN1 (0.53) MAPTMEN1KMT2AMAOATDP1
SCHEMBL23543135 0.84 MEN1 (0.53) MAPTMEN1KMT2AMAOATDP1
SCHEMBL28369269 0.84 MEN1 (0.53) MAPTMEN1KMT2AMAOATDP1
SCHEMBL9539629 0.83 MEN1 (0.51) MAPTMEN1KMT2AMAOATDP1
SCHEMBL23543113 0.83 MEN1 (0.51) MAPTMEN1KMT2AMAOATDP1
SCHEMBL11586145 0.82 MEN1 (0.54) MAPTMEN1KMT2AMAOATDP1
SCHEMBL9540725 0.81 MEN1 (0.53) MAPTMEN1KMT2AMAOATDP1

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