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Sugi Predict / Compounds / SCHEMBL29033904

SCHEMBL29033904

SCHEMBL29033904

Cc1ccc(C(C)NC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 7/20 0.57
▸ PRKD1 Q15139 2/20 0.47
▸ BRAF P15056 6/20 0.46
▸ PPARG P37231 2/20 0.46
▸ PDE2A O00408 3/20 0.44
▸ PHGDH O43175 1/20 0.43
▸ PTGER4 P35408 3/20 0.43

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
SCHEMBL29033887 0.92 BCHE (0.48) RAF1PRKD1BRAFPPARGPDE2A
SCHEMBL29033901 0.92 RAF1 (0.47) RAF1PRKD1BRAFPPARGPDE2A
SCHEMBL29033894 0.90 MAPT (0.53) RAF1PRKD1PDE2APHGDH
SCHEMBL25308786 0.81 MAPT (0.57) RAF1PRKD1BRAF
SCHEMBL29033886 0.78 PRKD1 (0.48) PRKD1PHGDH
SCHEMBL29033888 0.73 PHGDH (0.45) PRKD1PHGDH
SCHEMBL29033874 0.73 BCHE (0.48) PRKD1PDE2APHGDH
SCHEMBL29033909 0.72 RAB9A (0.55) PRKD1PHGDH
SCHEMBL25309227 0.72 MAPT (0.58) RAF1
SCHEMBL25262291 0.72 ABL1 (0.49) RAF1PRKD1

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
CN-114394934-B Pyrazole benzamide compound as well as preparation method and application thereof 苏州大学 2023-06-13 — — CN disclosed
CN-114394934-A Pyrazole benzamide compound and preparation method and application thereof 苏州大学 2022-04-26 — — CN disclosed