SCHEMBL17518709

SCHEMBL17518709

O=PC1C=CC=CC1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR2B P41595 1/20 0.32
CA2 P00918 2/20 0.31
EPHX1 P07099 1/20 0.31
RECQL P46063 1/20 0.31
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL30311727 0.77 RECQL (0.40) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL7774927 0.69 RECQL (0.39) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL11320221 0.67 RECQL (0.37) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL18570252 0.67 RECQL (0.33) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL28036409 0.67 CYP2C19 (0.42) LMNACYP1A2CYP3A4RECQLMEN1
SCHEMBL14652740 0.67 MAOB (0.41) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL21162132 0.67 MAOB (0.41) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL5268971 0.67 EDNRA (0.41) MAPTEPHX1MEN1KMT2A
SCHEMBL29155608 0.67 POLB (0.35) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL4255092 0.67 CUL4A (0.33) MAPTRECQLSLC18A3SIGMAR1GAA

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-2016022944-A1 FLAME RETARDANTS FROM RENEWABLE RESOURCES CENTRAL MICHIGAN UNIVERSITY (US) 2016-02-11 WO disclosed