SCHEMBL21994824

SCHEMBL21994824

[CH2]C(F)(F)c1ncc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ PLAU P00749 1/20 0.36
▸ GRIN2B Q13224 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL17964135 0.83 HTT (0.43) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL21994706 0.80 PLAU (0.40) LMNASMN1; SMN2HTTPLAUIDO1
SCHEMBL3228865 0.76 TSHR (0.41) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL17325379 0.75 GRIN2B (0.38) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL14921130 0.75 LMNA (0.39) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL14920915 0.75 GRIN2B (0.40) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL10204664 0.74 LMNA (0.39) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL14921080 0.73 LMNA (0.41) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL31409993 0.72 CYP2C9 (0.35) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL17186974 0.71 PLAU (0.40) CYP2C9LMNATSHRAPEX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4156936-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-05 — — EP disclosed
WO-2021239766-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2021-12-02 — — WO disclosed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 — — EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 — — WO disclosed
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