SCHEMBL18993786

SCHEMBL18993786

C=C/C(O)=C\c1cccnc1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ FGF23 Q9GZV9 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ TRIM24 O15164 1/20 0.32
▸ TRIM33 Q9UPN9 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ ERN1 O75460 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL18133177 0.77 P2RX7 (0.38) P2RX7ALDH1A1FGF23MKNK1MKNK2
SCHEMBL935465 0.77 — —
SCHEMBL20131035 0.76 P2RX7 (0.36) P2RX7MKNK1MKNK2TRIM24TRIM33
Hydrochloric Acid SCHEMBL4201170 0.75 ALDH1A1 (0.37) P2RX7ALDH1A1FGF23MKNK1MKNK2
SCHEMBL21094709 0.74 P2RX7 (0.37) P2RX7ALDH1A1FGF23MKNK1MKNK2
SCHEMBL11173012 0.73 TRIM24 (0.35) P2RX7ALDH1A1FGF23MKNK1MKNK2
SCHEMBL14677805 0.72 — —
SCHEMBL14885546 0.72 TDP1 (0.36) P2RX7ALDH1A1MKNK1MKNK2L3MBTL1
SCHEMBL9117952 0.71 CA1 (0.50) P2RX7ALDH1A1
SCHEMBL22199160 0.71 P2RX7 (0.41) P2RX7ALDH1A1FGF23MKNK1MKNK2

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
US-9682960-B2 Non-steroidal antiandrogens and selective androgen receptor modulators with a pyridyl moiety ENDORECHERCHE, INC. (CA) 2017-06-20 — — US disclosed
Send feedback