SCHEMBL23447248

SCHEMBL23447248

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
AOC3 Q16853 3/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
GRM5 P41594 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL25972772 0.87 ALDH1A1 (0.42) SIGMAR1AOC3KDM4CGRM5KDM4E
SCHEMBL23447270 0.83 PDE10A (0.38) AOC3GRM5KDM4E
SCHEMBL23447218 0.81 HSD11B1 (0.40)
SCHEMBL23447656 0.81 PDE10A (0.32) TMEM97
SCHEMBL23447579 0.78 TMEM97 (0.40) SIGMAR1TMEM97GRM5KDM4EALDH1A1
SCHEMBL23447599 0.78 SIGMAR1 (0.38) SIGMAR1AOC3TMEM97KDM4EALDH1A1
SCHEMBL23447580 0.78 PDE10A (0.41) KDM4EALDH1A1
SCHEMBL23447254 0.77 TMEM97 (0.39) SIGMAR1TMEM97
SCHEMBL25973351 0.77 PDE10A (0.36) AOC3GRM5
SCHEMBL23447600 0.75 HSD11B1 (0.39) KDM4EALDH1A1CYP2C9HPGDCYP2C19

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-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
WO-2021105101-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed