SCHEMBL25972772

SCHEMBL25972772

C=C(CCc1nc(-c2ccc(OC)cc2)n(C)n1)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 1/20 0.42
KDM4C Q9H3R0 1/20 0.40
AOC3 Q16853 2/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL23447248 0.87 SIGMAR1 (0.38) ALDH1A1HPGDKDM4CAOC3KDM4E
SCHEMBL23447607 0.85 MAPT (0.46) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL23447579 0.78 TMEM97 (0.40) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL23447599 0.78 SIGMAR1 (0.38) ALDH1A1MAPTAOC3KDM4ESMN1; SMN2
SCHEMBL23447580 0.78 PDE10A (0.41) ALDH1A1MAPTHTTKMT2AKDM4E
SCHEMBL23447254 0.77 TMEM97 (0.39) MAPTSMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL23447656 0.76 PDE10A (0.32)
SCHEMBL23447600 0.75 HSD11B1 (0.39) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL25972976 0.74 SIGMAR1 (0.44) ALDH1A1MAPTAOC3NPC1RAB9A
SCHEMBL23447270 0.73 PDE10A (0.38) MAPTHTTAOC3KDM4ECASP3

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-4065564-B1 [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS BAYER AG (DE) 2023-07-26 EP disclosed