SCHEMBL31166728

SCHEMBL31166728

CC(N)c1ncc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ MAOB P27338 3/20 0.43
▸ LTA4H P09960 3/20 0.43
▸ MAPT P10636 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ P4HTM Q9NXG6 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALOX5AP P20292 1/20 0.41

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
SCHEMBL25388469 0.81 LTA4H (0.40) PDGFRBPDGFRALTA4HRAB9AMAPK14
SCHEMBL31166963 0.78 ALOX5 (0.50) MAOBLTA4HMAPTL3MBTL1SMN1; SMN2
SCHEMBL10253764 0.76 P4HTM (0.51) MAOBLTA4HMAPTL3MBTL1SMN1; SMN2
SCHEMBL31166788 0.76 MAOB (0.50) PDGFRBPDGFRAMAOBLTA4HMAPT
SCHEMBL12392129 0.76 P4HTM (0.51) MAOBLTA4HMAPTL3MBTL1SMN1; SMN2
SCHEMBL31167021 0.75 PDGFRB (0.41) PDGFRBPDGFRAMAOBMAPTL3MBTL1
Hydrochloric Acid SCHEMBL2140034 0.75 P4HTM (0.50) MAOBLTA4HMAPTL3MBTL1SMN1; SMN2
SCHEMBL18865248 0.72 MAOB (0.54) PDGFRBPDGFRAMAOBMAPTL3MBTL1
SCHEMBL28563970 0.72 HTT (0.49) PDGFRBPDGFRALTA4HMAPTL3MBTL1
SCHEMBL20067907 0.72 HTT (0.49) PDGFRBPDGFRALTA4HMAPTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4698520-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF Gandeeva Therapeutics, Inc. (US) 2026-02-25 — — EP disclosed
WO-2024220708-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF GANDEEVA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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