SCHEMBL20198236

SCHEMBL20198236

Cc1ccc(P(=O)(C2=CC=CCC2)c2ccc(P(=O)(c3ccccc3)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
LMNA P02545 4/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL22131988 0.98 HPGD (0.39) HPGDLMNAMEN1KMT2AMAPT
SCHEMBL24864982 0.89 CA2 (0.34) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL17849096 0.83 LMNA (0.33) LMNA
SCHEMBL21318647 0.79 POLB (0.35) HPGDKMT2AMAPTPOLBKDM4E
SCHEMBL12949344 0.79 LMNA (0.30) LMNA
SCHEMBL23509809 0.79 KDM4E (0.32) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL26078770 0.78 ESR1 (0.40) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL20961493 0.77 MAPT (0.35) HPGDLMNAMEN1KMT2AMAPT
SCHEMBL14461267 0.77 LMNA (0.33) LMNAMEN1KMT2AESR1
SCHEMBL4403188 0.77 HPGD (0.61) HPGDLMNAMEN1KMT2AMAPT

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
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed