SCHEMBL24455168

SCHEMBL24455168

C=Nc1cc(C)c(C=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ERN1 O75460 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KCNJ1 P48048 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
SCHEMBL24455105 0.84 ALDH1A1 (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL24455167 0.79 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL691736 0.77 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL16104754 0.72 — —
SCHEMBL31477129 0.72 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL2884919 0.71 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL15920680 0.69 KDM1A (0.43) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL2435201 0.69 ERN1 (0.45) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL18128766 0.69 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL23133508 0.68 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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-2022109362-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 — — WO disclosed
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